bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile

C73H99Al2F9N4 — CID 157442537

IUPACbis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile
SMILESC.C.C.CC(C)C[AlH]CC(C)C.CC(C)C[Al](CC(C)C)N=CCCc1cccc(C(F)(F)F)c1.C[C@@H](/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.C[C@@H](N)c1cccc2ccccc12.N#CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N.C12H13N.C10H9F3N.C10H8F3N.4C4H9.3CH4.2Al.H/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;2*11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;4*1-4(2)3;;;;;;/h2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;1,3,5,7H,2,4H2;4*4H,1H2,2-3H3;3*1H4;;;/q;;-1;;;;;;;;;;+1;/b26-14+;;;;;;;;;;;;;/t16-;9-;;;;;;;;;;;;/m11............/s1
InChIKeyJRIFTTFFTWWPSD-PWMWQLJVSA-N
MW1257.57 g/mol
LogP23.14
Rot. Bonds20

About bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile

bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile (PubChem CID 157442537) has the molecular formula C73H99Al2F9N4 and a molecular weight of 1257.57 g/mol. Its IUPAC name is bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile.

Molecular Properties

Compound Namebis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile
PubChem CID157442537
Molecular FormulaC73H99Al2F9N4
Molecular Weight1257.57 g/mol
Exact Mass1256.74
IUPAC Namebis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile
SMILESC.C.C.CC(C)C[AlH]CC(C)C.CC(C)C[Al](CC(C)C)N=CCCc1cccc(C(F)(F)F)c1.C[C@@H](/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.C[C@@H](N)c1cccc2ccccc12.N#CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H20F3N.C12H13N.C10H9F3N.C10H8F3N.4C4H9.3CH4.2Al.H/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;2*11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;4*1-4(2)3;;;;;;/h2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;1,3,5,7H,2,4H2;4*4H,1H2,2-3H3;3*1H4;;;/q;;-1;;;;;;;;;;+1;/b26-14+;;;;;;;;;;;;;/t16-;9-;;;;;;;;;;;;/m11............/s1
InChIKeyJRIFTTFFTWWPSD-PWMWQLJVSA-N
XLogP23.14
TPSA74.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.57
LogP ≤ 523.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile with MolForge

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Related Compounds

(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
CID 158763688
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine
CID 58915478
1-ethenyl-3-(trifluoromethyl)benzene;1-naphthalen-1-ylethanamine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine;N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanal
CID 160678050
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
N-(1-naphthalen-1-ylethyl)-N-[3-[3-(trifluoromethyl)phenyl]propyl]thiohydroxylamine
CID 174834815
N-[(1R)-1-naphthalen-1-ylethyl]-N-oxido-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 46234196
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
benzylidene-(1-naphthalen-1-ylpropyl)-[3-[3-(trifluoromethyl)phenyl]propyl]azanium
CID 91384132
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
(E)-N-[bis(2-methylpropyl)alumanyl]-2-phenylethanimine
CID 177405879
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile;hydrochloride
CID 3046408

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile?
The IUPAC name of bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile (CID 157442537) is bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile.
What is the SMILES notation for bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile?
The canonical SMILES for bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile is C.C.C.CC(C)C[AlH]CC(C)C.CC(C)C[Al](CC(C)C)N=CCCc1cccc(C(F)(F)F)c1.C[C@@H](/N=C/CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.C[C@@H](N)c1cccc2ccccc12.N#CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile?
The InChIKey is JRIFTTFFTWWPSD-PWMWQLJVSA-N. The full InChI is InChI=1S/C22H20F3N.C12H13N.C10H9F3N.C10H8F3N.4C4H9.3CH4.2Al.H/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;2*11-10(12,13)9-5-1-3-8(7-9)4-2-6-14;4*1-4(2)3;;;;;;/h2-5,7,9-16H,6,8H2,1H3;2-9H,13H2,1H3;1,3,5-7H,2,4H2;1,3,5,7H,2,4H2;4*4H,1H2,2-3H3;3*1H4;;;/q;;-1;;;;;;;;;;+1;/b26-14+;;;;;;;;;;;;;/t16-;9-;;;;;;;;;;;;/m11............/s1.
What are the key properties of bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile?
bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile has a molecular weight of 1257.57 g/mol, XLogP of 23.14, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumane;N-[bis(2-methylpropyl)alumanyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;methane;(1R)-1-naphthalen-1-ylethanamine;N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-imine;3-[3-(trifluoromethyl)phenyl]propanenitrile is sourced from PubChem (CID 157442537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).