4-propylpentadecan-4-amine

C18H39N — CID 22244918

IUPAC4-propylpentadecan-4-amine
SMILESCCCCCCCCCCCC(N)(CCC)CCC
InChIInChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3/h4-17,19H2,1-3H3
InChIKeyKVUKVEOCPVWQIL-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.20
Rot. Bonds14

About 4-propylpentadecan-4-amine

4-propylpentadecan-4-amine (PubChem CID 22244918) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 4-propylpentadecan-4-amine.

Molecular Properties

Compound Name4-propylpentadecan-4-amine
PubChem CID22244918
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name4-propylpentadecan-4-amine
SMILESCCCCCCCCCCCC(N)(CCC)CCC
InChIInChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3/h4-17,19H2,1-3H3
InChIKeyKVUKVEOCPVWQIL-UHFFFAOYSA-N
XLogP6.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.20
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

4-propylundecan-4-amine
CID 166728969
11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
12-undecyltricosan-12-amine;hydrate
CID 173445536
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
4-pentadecylheptane-1,4,7-triamine
CID 156536321
2-amino-2-propylpentadecan-1-ol
CID 87201203
3-ethylnonadecan-3-amine
CID 19028625

Frequently Asked Questions

What is the IUPAC name of 4-propylpentadecan-4-amine?
The IUPAC name of 4-propylpentadecan-4-amine (CID 22244918) is 4-propylpentadecan-4-amine.
What is the SMILES notation for 4-propylpentadecan-4-amine?
The canonical SMILES for 4-propylpentadecan-4-amine is CCCCCCCCCCCC(N)(CCC)CCC.
What is the InChIKey of 4-propylpentadecan-4-amine?
The InChIKey is KVUKVEOCPVWQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-17-18(19,15-5-2)16-6-3/h4-17,19H2,1-3H3.
What are the key properties of 4-propylpentadecan-4-amine?
4-propylpentadecan-4-amine has a molecular weight of 269.52 g/mol, XLogP of 6.20, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpentadecan-4-amine is sourced from PubChem (CID 22244918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).