N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine

C17H29N — CID 113472369

IUPACN-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-5-6-10-15-18-17(2,3)14-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyCGBJKPDVAILOOH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.57
Rot. Bonds9

About N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine

N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine (PubChem CID 113472369) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
PubChem CID113472369
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-5-6-10-15-18-17(2,3)14-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3
InChIKeyCGBJKPDVAILOOH-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.57
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

N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
N-benzyl-2-methylnonan-2-amine
CID 54410414
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
3,3-dimethyltetradecylbenzene
CID 141108755
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(2-phenylethyl)undecan-1-amine
CID 141108004
11-phenyl-N-undecylundecan-1-amine
CID 175593224

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine (CID 113472369) is N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine is CCCCCCNC(C)(C)CCc1ccccc1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine?
The InChIKey is CGBJKPDVAILOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-5-6-10-15-18-17(2,3)14-13-16-11-8-7-9-12-16/h7-9,11-12,18H,4-6,10,13-15H2,1-3H3.
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine?
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine is sourced from PubChem (CID 113472369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).