4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine

C17H29N — CID 107876045

IUPAC4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
SMILESCC(C)CCCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-14(2)9-8-12-18-13-17(15(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3
InChIKeyOVKKQUUFDDVJJT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.45
Rot. Bonds8

About 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine

4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine (PubChem CID 107876045) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
PubChem CID107876045
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
SMILESCC(C)CCCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-14(2)9-8-12-18-13-17(15(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3
InChIKeyOVKKQUUFDDVJJT-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.45
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

5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876331
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
3-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 107876015
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
2-[(3-methyl-2-phenylbutyl)amino]ethyl carbamate
CID 107876364
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine (CID 107876045) is 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine is CC(C)CCCNCC(c1ccccc1)C(C)C.
What is the InChIKey of 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
The InChIKey is OVKKQUUFDDVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)9-8-12-18-13-17(15(3)4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17-18H,8-9,12-13H2,1-4H3.
What are the key properties of 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine?
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine is sourced from PubChem (CID 107876045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).