2-phenyl-N-propylnonan-1-amine

C18H31N — CID 65429485

IUPAC2-phenyl-N-propylnonan-1-amine
SMILESCCCCCCCC(CNCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-6-7-9-14-18(16-19-15-4-2)17-12-10-8-11-13-17/h8,10-13,18-19H,3-7,9,14-16H2,1-2H3
InChIKeyXIXRMGZCQOIUBS-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.13
Rot. Bonds11

About 2-phenyl-N-propylnonan-1-amine

2-phenyl-N-propylnonan-1-amine (PubChem CID 65429485) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-phenyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propylnonan-1-amine
PubChem CID65429485
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-phenyl-N-propylnonan-1-amine
SMILESCCCCCCCC(CNCCC)c1ccccc1
InChIInChI=1S/C18H31N/c1-3-5-6-7-9-14-18(16-19-15-4-2)17-12-10-8-11-13-17/h8,10-13,18-19H,3-7,9,14-16H2,1-2H3
InChIKeyXIXRMGZCQOIUBS-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.13
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

2-(2-phenylnonylamino)ethanol
CID 142077190
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453
2-(4-chlorophenyl)-N-propylnonan-1-amine
CID 79438605
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
CID 22091448
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-phenyl-N-propyloct-6-yn-1-amine
CID 113456169
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propylnonan-1-amine?
The IUPAC name of 2-phenyl-N-propylnonan-1-amine (CID 65429485) is 2-phenyl-N-propylnonan-1-amine.
What is the SMILES notation for 2-phenyl-N-propylnonan-1-amine?
The canonical SMILES for 2-phenyl-N-propylnonan-1-amine is CCCCCCCC(CNCCC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propylnonan-1-amine?
The InChIKey is XIXRMGZCQOIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-6-7-9-14-18(16-19-15-4-2)17-12-10-8-11-13-17/h8,10-13,18-19H,3-7,9,14-16H2,1-2H3.
What are the key properties of 2-phenyl-N-propylnonan-1-amine?
2-phenyl-N-propylnonan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propylnonan-1-amine is sourced from PubChem (CID 65429485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).