6-N-hexylhexane-1,3,6-triamine

C12H29N3 — CID 87991067

IUPAC6-N-hexylhexane-1,3,6-triamine
SMILESCCCCCCNCCCC(N)CCN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-10-15-11-6-7-12(14)8-9-13/h12,15H,2-11,13-14H2,1H3
InChIKeyCJSINRWJLHMNLU-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.61
Rot. Bonds11

About 6-N-hexylhexane-1,3,6-triamine

6-N-hexylhexane-1,3,6-triamine (PubChem CID 87991067) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 6-N-hexylhexane-1,3,6-triamine.

Molecular Properties

Compound Name6-N-hexylhexane-1,3,6-triamine
PubChem CID87991067
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name6-N-hexylhexane-1,3,6-triamine
SMILESCCCCCCNCCCC(N)CCN
InChIInChI=1S/C12H29N3/c1-2-3-4-5-10-15-11-6-7-12(14)8-9-13/h12,15H,2-11,13-14H2,1H3
InChIKeyCJSINRWJLHMNLU-UHFFFAOYSA-N
XLogP1.61
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.61
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

1-N-(4-aminobutyl)heptane-1,4-diamine
CID 22395282
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-henicosylethane-1,2-diamine
CID 22930907
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859

Frequently Asked Questions

What is the IUPAC name of 6-N-hexylhexane-1,3,6-triamine?
The IUPAC name of 6-N-hexylhexane-1,3,6-triamine (CID 87991067) is 6-N-hexylhexane-1,3,6-triamine.
What is the SMILES notation for 6-N-hexylhexane-1,3,6-triamine?
The canonical SMILES for 6-N-hexylhexane-1,3,6-triamine is CCCCCCNCCCC(N)CCN.
What is the InChIKey of 6-N-hexylhexane-1,3,6-triamine?
The InChIKey is CJSINRWJLHMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-2-3-4-5-10-15-11-6-7-12(14)8-9-13/h12,15H,2-11,13-14H2,1H3.
What are the key properties of 6-N-hexylhexane-1,3,6-triamine?
6-N-hexylhexane-1,3,6-triamine has a molecular weight of 215.38 g/mol, XLogP of 1.61, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hexylhexane-1,3,6-triamine is sourced from PubChem (CID 87991067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).