3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine

C20H35N — CID 79836887

IUPAC3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H35N/c1-8-12-21-13-11-20(6,7)19-10-9-17(15(2)3)14-18(19)16(4)5/h9-10,14-16,21H,8,11-13H2,1-7H3
InChIKeyUAPVTMIMESQOKZ-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.60
Rot. Bonds8

About 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine

3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine (PubChem CID 79836887) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
PubChem CID79836887
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCCC(C)(C)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C20H35N/c1-8-12-21-13-11-20(6,7)19-10-9-17(15(2)3)14-18(19)16(4)5/h9-10,14-16,21H,8,11-13H2,1-7H3
InChIKeyUAPVTMIMESQOKZ-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023002
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
3-(2,5-dichlorothiophen-3-yl)-3-methyl-N-propylbutan-1-amine
CID 79830855
4-[2,4-di(propan-2-yl)phenyl]-4,4-difluorobutanoic acid
CID 29051981
3-methyl-N-propyl-3-(1H-pyrrol-3-yl)butan-1-amine
CID 79829614
N-[2-[2,4,6-tri(propan-2-yl)anilino]ethyl]-N'-[2,4,6-tri(propan-2-yl)phenyl]ethane-1,2-diamine
CID 18441023
5-propan-2-yl-2-(propylamino)benzenethiol
CID 170042950
3-(4-tert-butylphenyl)-N-propylbutan-1-amine
CID 81020319
3-methyl-N-propyl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350472

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine (CID 79836887) is 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine is CCCNCCC(C)(C)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine?
The InChIKey is UAPVTMIMESQOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-12-21-13-11-20(6,7)19-10-9-17(15(2)3)14-18(19)16(4)5/h9-10,14-16,21H,8,11-13H2,1-7H3.
What are the key properties of 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine?
3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79836887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).