5-N-(2-aminohexyl)pentane-1,2,5-triamine

C11H28N4 — CID 88775596

IUPAC5-N-(2-aminohexyl)pentane-1,2,5-triamine
SMILESCCCCC(N)CNCCCC(N)CN
InChIInChI=1S/C11H28N4/c1-2-3-5-11(14)9-15-7-4-6-10(13)8-12/h10-11,15H,2-9,12-14H2,1H3
InChIKeyJBNYKHVCFZUAHH-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.16
Rot. Bonds10

About 5-N-(2-aminohexyl)pentane-1,2,5-triamine

5-N-(2-aminohexyl)pentane-1,2,5-triamine (PubChem CID 88775596) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-N-(2-aminohexyl)pentane-1,2,5-triamine.

Molecular Properties

Compound Name5-N-(2-aminohexyl)pentane-1,2,5-triamine
PubChem CID88775596
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name5-N-(2-aminohexyl)pentane-1,2,5-triamine
SMILESCCCCC(N)CNCCCC(N)CN
InChIInChI=1S/C11H28N4/c1-2-3-5-11(14)9-15-7-4-6-10(13)8-12/h10-11,15H,2-9,12-14H2,1H3
InChIKeyJBNYKHVCFZUAHH-UHFFFAOYSA-N
XLogP0.16
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminohexylamino)ethanol
CID 83960481
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
(2R)-1-N-butylbutane-1,2-diamine
CID 130522167
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
6-N-hexylhexane-1,3,6-triamine
CID 87991067
(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminohexyl)pentane-1,2,5-triamine?
The IUPAC name of 5-N-(2-aminohexyl)pentane-1,2,5-triamine (CID 88775596) is 5-N-(2-aminohexyl)pentane-1,2,5-triamine.
What is the SMILES notation for 5-N-(2-aminohexyl)pentane-1,2,5-triamine?
The canonical SMILES for 5-N-(2-aminohexyl)pentane-1,2,5-triamine is CCCCC(N)CNCCCC(N)CN.
What is the InChIKey of 5-N-(2-aminohexyl)pentane-1,2,5-triamine?
The InChIKey is JBNYKHVCFZUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-2-3-5-11(14)9-15-7-4-6-10(13)8-12/h10-11,15H,2-9,12-14H2,1H3.
What are the key properties of 5-N-(2-aminohexyl)pentane-1,2,5-triamine?
5-N-(2-aminohexyl)pentane-1,2,5-triamine has a molecular weight of 216.37 g/mol, XLogP of 0.16, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminohexyl)pentane-1,2,5-triamine is sourced from PubChem (CID 88775596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).