3-(2-pentylphenyl)prop-1-en-1-amine

C14H21N — CID 174793105

IUPAC3-(2-pentylphenyl)prop-1-en-1-amine
SMILESCCCCCc1ccccc1CC=CN
InChIInChI=1S/C14H21N/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-10,12H,2-4,8,11,15H2,1H3
InChIKeyJDSBVODDTBSWCR-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.43
Rot. Bonds6

About 3-(2-pentylphenyl)prop-1-en-1-amine

3-(2-pentylphenyl)prop-1-en-1-amine (PubChem CID 174793105) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(2-pentylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(2-pentylphenyl)prop-1-en-1-amine
PubChem CID174793105
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-(2-pentylphenyl)prop-1-en-1-amine
SMILESCCCCCc1ccccc1CC=CN
InChIInChI=1S/C14H21N/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-10,12H,2-4,8,11,15H2,1H3
InChIKeyJDSBVODDTBSWCR-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.43
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-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
(2-heptylphenyl)methanamine
CID 57355618
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
1-ethyl-2-henicosylbenzene
CID 141174443
CID 159940559
CID 159940559
1-but-2-enyl-2-propylbenzene
CID 139617865
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121

Frequently Asked Questions

What is the IUPAC name of 3-(2-pentylphenyl)prop-1-en-1-amine?
The IUPAC name of 3-(2-pentylphenyl)prop-1-en-1-amine (CID 174793105) is 3-(2-pentylphenyl)prop-1-en-1-amine.
What is the SMILES notation for 3-(2-pentylphenyl)prop-1-en-1-amine?
The canonical SMILES for 3-(2-pentylphenyl)prop-1-en-1-amine is CCCCCc1ccccc1CC=CN.
What is the InChIKey of 3-(2-pentylphenyl)prop-1-en-1-amine?
The InChIKey is JDSBVODDTBSWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-8-13-9-5-6-10-14(13)11-7-12-15/h5-7,9-10,12H,2-4,8,11,15H2,1H3.
What are the key properties of 3-(2-pentylphenyl)prop-1-en-1-amine?
3-(2-pentylphenyl)prop-1-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pentylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 174793105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).