N-(1-phenylpentyl)octan-2-amine

C19H33N — CID 43791089

IUPACN-(1-phenylpentyl)octan-2-amine
SMILESCCCCCCC(C)NC(CCCC)c1ccccc1
InChIInChI=1S/C19H33N/c1-4-6-8-10-13-17(3)20-19(16-7-5-2)18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3
InChIKeyMHIIHFAOOOVSHH-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.87
Rot. Bonds11

About N-(1-phenylpentyl)octan-2-amine

N-(1-phenylpentyl)octan-2-amine (PubChem CID 43791089) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-(1-phenylpentyl)octan-2-amine.

Molecular Properties

Compound NameN-(1-phenylpentyl)octan-2-amine
PubChem CID43791089
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-(1-phenylpentyl)octan-2-amine
SMILESCCCCCCC(C)NC(CCCC)c1ccccc1
InChIInChI=1S/C19H33N/c1-4-6-8-10-13-17(3)20-19(16-7-5-2)18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3
InChIKeyMHIIHFAOOOVSHH-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.87
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

(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
N-(1-phenylethyl)hexan-2-amine
CID 43755937
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-[(1R)-1-(furan-2-yl)ethyl]-1-phenylhexan-1-amine
CID 81403415
N-[1-(4-methylphenyl)propyl]nonan-2-amine
CID 43714881
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)octan-2-amine?
The IUPAC name of N-(1-phenylpentyl)octan-2-amine (CID 43791089) is N-(1-phenylpentyl)octan-2-amine.
What is the SMILES notation for N-(1-phenylpentyl)octan-2-amine?
The canonical SMILES for N-(1-phenylpentyl)octan-2-amine is CCCCCCC(C)NC(CCCC)c1ccccc1.
What is the InChIKey of N-(1-phenylpentyl)octan-2-amine?
The InChIKey is MHIIHFAOOOVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-4-6-8-10-13-17(3)20-19(16-7-5-2)18-14-11-9-12-15-18/h9,11-12,14-15,17,19-20H,4-8,10,13,16H2,1-3H3.
What are the key properties of N-(1-phenylpentyl)octan-2-amine?
N-(1-phenylpentyl)octan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)octan-2-amine is sourced from PubChem (CID 43791089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).