2-phenyl-N-propan-2-ylundecan-1-amine

C20H35N — CID 65429308

IUPAC2-phenyl-N-propan-2-ylundecan-1-amine
SMILESCCCCCCCCCC(CNC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-5-6-7-8-9-11-16-20(17-21-18(2)3)19-14-12-10-13-15-19/h10,12-15,18,20-21H,4-9,11,16-17H2,1-3H3
InChIKeyQCKCSHDSRRZIJO-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.91
Rot. Bonds12

About 2-phenyl-N-propan-2-ylundecan-1-amine

2-phenyl-N-propan-2-ylundecan-1-amine (PubChem CID 65429308) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-ylundecan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-ylundecan-1-amine
PubChem CID65429308
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-phenyl-N-propan-2-ylundecan-1-amine
SMILESCCCCCCCCCC(CNC(C)C)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-5-6-7-8-9-11-16-20(17-21-18(2)3)19-14-12-10-13-15-19/h10,12-15,18,20-21H,4-9,11,16-17H2,1-3H3
InChIKeyQCKCSHDSRRZIJO-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.91
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-(4-chlorophenyl)-N-propan-2-yloctan-1-amine
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icosan-10-ylbenzene
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2-phenyl-N-propylnonan-1-amine
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N-(2-phenylnonyl)cyclopropanamine
CID 65431169
2-(2-phenylnonylamino)ethanol
CID 142077190
octan-3-ylbenzene
CID 519547
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-chlorooctan-2-ylbenzene
CID 66033446
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
(1-pentyl-3-phenylheptyl)benzene
CID 154153436

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-ylundecan-1-amine?
The IUPAC name of 2-phenyl-N-propan-2-ylundecan-1-amine (CID 65429308) is 2-phenyl-N-propan-2-ylundecan-1-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-ylundecan-1-amine?
The canonical SMILES for 2-phenyl-N-propan-2-ylundecan-1-amine is CCCCCCCCCC(CNC(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-ylundecan-1-amine?
The InChIKey is QCKCSHDSRRZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-5-6-7-8-9-11-16-20(17-21-18(2)3)19-14-12-10-13-15-19/h10,12-15,18,20-21H,4-9,11,16-17H2,1-3H3.
What are the key properties of 2-phenyl-N-propan-2-ylundecan-1-amine?
2-phenyl-N-propan-2-ylundecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.91, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-ylundecan-1-amine is sourced from PubChem (CID 65429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).