N-tridecylpentadecan-3-amine

C28H59N — CID 88820168

IUPACN-tridecylpentadecan-3-amine
SMILESCCCCCCCCCCCCCNC(CC)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h28-29H,4-27H2,1-3H3
InChIKeyPIZKCCQIXLGIKH-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.98
Rot. Bonds25

About N-tridecylpentadecan-3-amine

N-tridecylpentadecan-3-amine (PubChem CID 88820168) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N-tridecylpentadecan-3-amine.

Molecular Properties

Compound NameN-tridecylpentadecan-3-amine
PubChem CID88820168
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN-tridecylpentadecan-3-amine
SMILESCCCCCCCCCCCCCNC(CC)CCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h28-29H,4-27H2,1-3H3
InChIKeyPIZKCCQIXLGIKH-UHFFFAOYSA-N
XLogP9.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.98
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

N-pentylheptan-3-amine
CID 63944300
N-hexan-3-ylhexan-1-amine
CID 62117591
N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
2-(decylamino)butan-1-ol
CID 60668820
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601
N-(1-chlorobutan-2-yl)decan-1-amine
CID 65026505
N-pentyloctan-4-amine
CID 106023306
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
2-N-hexyl-1-N,1-N-dimethylbutane-1,2-diamine
CID 102401711

Frequently Asked Questions

What is the IUPAC name of N-tridecylpentadecan-3-amine?
The IUPAC name of N-tridecylpentadecan-3-amine (CID 88820168) is N-tridecylpentadecan-3-amine.
What is the SMILES notation for N-tridecylpentadecan-3-amine?
The canonical SMILES for N-tridecylpentadecan-3-amine is CCCCCCCCCCCCCNC(CC)CCCCCCCCCCCC.
What is the InChIKey of N-tridecylpentadecan-3-amine?
The InChIKey is PIZKCCQIXLGIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-28(6-3)26-24-22-20-18-16-14-12-10-8-5-2/h28-29H,4-27H2,1-3H3.
What are the key properties of N-tridecylpentadecan-3-amine?
N-tridecylpentadecan-3-amine has a molecular weight of 409.79 g/mol, XLogP of 9.98, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecylpentadecan-3-amine is sourced from PubChem (CID 88820168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).