N-(3-phenylpropyl)undecan-1-amine

C20H35N — CID 10469447

IUPACN-(3-phenylpropyl)undecan-1-amine
SMILESCCCCCCCCCCCNCCCc1ccccc1
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-13-18-21-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,21H,2-9,13-14,17-19H2,1H3
InChIKeyDCYHJEWCWJLRSD-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.74
Rot. Bonds14

About N-(3-phenylpropyl)undecan-1-amine

N-(3-phenylpropyl)undecan-1-amine (PubChem CID 10469447) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(3-phenylpropyl)undecan-1-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)undecan-1-amine
PubChem CID10469447
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(3-phenylpropyl)undecan-1-amine
SMILESCCCCCCCCCCCNCCCc1ccccc1
InChIInChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-13-18-21-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,21H,2-9,13-14,17-19H2,1H3
InChIKeyDCYHJEWCWJLRSD-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.74
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-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(2-phenylethyl)undecan-1-amine
CID 141108004
5-phenyl-N-propylpentan-1-amine
CID 62530615
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)undecan-1-amine?
The IUPAC name of N-(3-phenylpropyl)undecan-1-amine (CID 10469447) is N-(3-phenylpropyl)undecan-1-amine.
What is the SMILES notation for N-(3-phenylpropyl)undecan-1-amine?
The canonical SMILES for N-(3-phenylpropyl)undecan-1-amine is CCCCCCCCCCCNCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)undecan-1-amine?
The InChIKey is DCYHJEWCWJLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-13-18-21-19-14-17-20-15-11-10-12-16-20/h10-12,15-16,21H,2-9,13-14,17-19H2,1H3.
What are the key properties of N-(3-phenylpropyl)undecan-1-amine?
N-(3-phenylpropyl)undecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.74, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)undecan-1-amine is sourced from PubChem (CID 10469447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).