1-(2,3-dipropylphenyl)tetradecan-1-amine

C26H47N — CID 21316150

IUPAC1-(2,3-dipropylphenyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCC(N)c1cccc(CCC)c1CCC
InChIInChI=1S/C26H47N/c1-4-7-8-9-10-11-12-13-14-15-16-22-26(27)25-21-17-20-23(18-5-2)24(25)19-6-3/h17,20-21,26H,4-16,18-19,22,27H2,1-3H3
InChIKeyUQNHHYSDUKARJZ-UHFFFAOYSA-N
MW373.67 g/mol
LogP8.29
Rot. Bonds17

About 1-(2,3-dipropylphenyl)tetradecan-1-amine

1-(2,3-dipropylphenyl)tetradecan-1-amine (PubChem CID 21316150) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is 1-(2,3-dipropylphenyl)tetradecan-1-amine.

Molecular Properties

Compound Name1-(2,3-dipropylphenyl)tetradecan-1-amine
PubChem CID21316150
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC Name1-(2,3-dipropylphenyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCC(N)c1cccc(CCC)c1CCC
InChIInChI=1S/C26H47N/c1-4-7-8-9-10-11-12-13-14-15-16-22-26(27)25-21-17-20-23(18-5-2)24(25)19-6-3/h17,20-21,26H,4-16,18-19,22,27H2,1-3H3
InChIKeyUQNHHYSDUKARJZ-UHFFFAOYSA-N
XLogP8.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 58.29
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

1-(2,3-diethylphenyl)tetradecan-1-amine
CID 22761428
1-(2,3-diethylphenyl)dodecan-1-amine;hydrate
CID 173447961
1-(2,3-diethylphenyl)octadecan-1-amine;hydrochloride
CID 173450501
1-(2,3-diethylphenyl)octan-1-amine;hydrochloride
CID 173450788
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1,2-di(nonyl)-3-tritetracontan-11-ylbenzene
CID 90921779
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
1,3-dioctyl-2-propylbenzene
CID 90707443
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-iodo-3-methylphenyl)octan-1-amine
CID 114030076
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dipropylphenyl)tetradecan-1-amine?
The IUPAC name of 1-(2,3-dipropylphenyl)tetradecan-1-amine (CID 21316150) is 1-(2,3-dipropylphenyl)tetradecan-1-amine.
What is the SMILES notation for 1-(2,3-dipropylphenyl)tetradecan-1-amine?
The canonical SMILES for 1-(2,3-dipropylphenyl)tetradecan-1-amine is CCCCCCCCCCCCCC(N)c1cccc(CCC)c1CCC.
What is the InChIKey of 1-(2,3-dipropylphenyl)tetradecan-1-amine?
The InChIKey is UQNHHYSDUKARJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N/c1-4-7-8-9-10-11-12-13-14-15-16-22-26(27)25-21-17-20-23(18-5-2)24(25)19-6-3/h17,20-21,26H,4-16,18-19,22,27H2,1-3H3.
What are the key properties of 1-(2,3-dipropylphenyl)tetradecan-1-amine?
1-(2,3-dipropylphenyl)tetradecan-1-amine has a molecular weight of 373.67 g/mol, XLogP of 8.29, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dipropylphenyl)tetradecan-1-amine is sourced from PubChem (CID 21316150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).