N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine

C13H23N — CID 123136666

IUPACN,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine
SMILESCCC(C)C=C(C)C(/C=N/C)=C(C)C
InChIInChI=1S/C13H23N/c1-7-11(4)8-12(5)13(9-14-6)10(2)3/h8-9,11H,7H2,1-6H3/b12-8?,14-9+
InChIKeyQKUQQVHBSBGJAX-WCIHVYRGSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds4

About N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine

N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine (PubChem CID 123136666) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine
PubChem CID123136666
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine
SMILESCCC(C)C=C(C)C(/C=N/C)=C(C)C
InChIInChI=1S/C13H23N/c1-7-11(4)8-12(5)13(9-14-6)10(2)3/h8-9,11H,7H2,1-6H3/b12-8?,14-9+
InChIKeyQKUQQVHBSBGJAX-WCIHVYRGSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089
(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
CID 134466286
(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
CID 134466390
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
4-butan-2-yl-3-[(Z)-3-fluoro-2-methylbut-1-enyl]-2H-pyrrole
CID 146499188
(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
CID 166786093
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 174137830
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine?
The IUPAC name of N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine (CID 123136666) is N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine.
What is the SMILES notation for N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine?
The canonical SMILES for N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine is CCC(C)C=C(C)C(/C=N/C)=C(C)C.
What is the InChIKey of N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine?
The InChIKey is QKUQQVHBSBGJAX-WCIHVYRGSA-N. The full InChI is InChI=1S/C13H23N/c1-7-11(4)8-12(5)13(9-14-6)10(2)3/h8-9,11H,7H2,1-6H3/b12-8?,14-9+.
What are the key properties of N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine?
N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-propan-2-ylidenehept-3-en-1-imine is sourced from PubChem (CID 123136666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).