4-pentadecylheptane-1,4,7-triamine

C22H49N3 — CID 156536321

IUPAC4-pentadecylheptane-1,4,7-triamine
SMILESCCCCCCCCCCCCCCCC(N)(CCCN)CCCN
InChIInChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(25,18-15-20-23)19-16-21-24/h2-21,23-25H2,1H3
InChIKeyXTHPSLUAMSWBDX-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.64
Rot. Bonds20

About 4-pentadecylheptane-1,4,7-triamine

4-pentadecylheptane-1,4,7-triamine (PubChem CID 156536321) has the molecular formula C22H49N3 and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-pentadecylheptane-1,4,7-triamine.

Molecular Properties

Compound Name4-pentadecylheptane-1,4,7-triamine
PubChem CID156536321
Molecular FormulaC22H49N3
Molecular Weight355.66 g/mol
Exact Mass355.39
IUPAC Name4-pentadecylheptane-1,4,7-triamine
SMILESCCCCCCCCCCCCCCCC(N)(CCCN)CCCN
InChIInChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(25,18-15-20-23)19-16-21-24/h2-21,23-25H2,1H3
InChIKeyXTHPSLUAMSWBDX-UHFFFAOYSA-N
XLogP5.64
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
4-propylundecan-4-amine
CID 166728969
4-propylpentadecan-4-amine
CID 22244918
2-octyldecane-1,2-diamine
CID 88831195
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766

Frequently Asked Questions

What is the IUPAC name of 4-pentadecylheptane-1,4,7-triamine?
The IUPAC name of 4-pentadecylheptane-1,4,7-triamine (CID 156536321) is 4-pentadecylheptane-1,4,7-triamine.
What is the SMILES notation for 4-pentadecylheptane-1,4,7-triamine?
The canonical SMILES for 4-pentadecylheptane-1,4,7-triamine is CCCCCCCCCCCCCCCC(N)(CCCN)CCCN.
What is the InChIKey of 4-pentadecylheptane-1,4,7-triamine?
The InChIKey is XTHPSLUAMSWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(25,18-15-20-23)19-16-21-24/h2-21,23-25H2,1H3.
What are the key properties of 4-pentadecylheptane-1,4,7-triamine?
4-pentadecylheptane-1,4,7-triamine has a molecular weight of 355.66 g/mol, XLogP of 5.64, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentadecylheptane-1,4,7-triamine is sourced from PubChem (CID 156536321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).