2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine

C18H31N — CID 10659103

IUPAC2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
SMILESCCCCC(NC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H31N/c1-6-7-13-17(16-11-9-8-10-12-16)19-18(14(2)3)15(4)5/h8-12,14-15,17-19H,6-7,13H2,1-5H3
InChIKeyRPNYMWFRNZCQRB-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.19
Rot. Bonds8

About 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine

2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine (PubChem CID 10659103) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
PubChem CID10659103
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
SMILESCCCCC(NC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H31N/c1-6-7-13-17(16-11-9-8-10-12-16)19-18(14(2)3)15(4)5/h8-12,14-15,17-19H,6-7,13H2,1-5H3
InChIKeyRPNYMWFRNZCQRB-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-(1-phenylpentyl)octan-2-amine
CID 43791089
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412
N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
CID 113494589
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-methoxy-1-phenylhexan-1-amine
CID 82707077

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine?
The IUPAC name of 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine (CID 10659103) is 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine.
What is the SMILES notation for 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine?
The canonical SMILES for 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine is CCCCC(NC(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine?
The InChIKey is RPNYMWFRNZCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-7-13-17(16-11-9-8-10-12-16)19-18(14(2)3)15(4)5/h8-12,14-15,17-19H,6-7,13H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine?
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine is sourced from PubChem (CID 10659103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).