hexane-1,5,5-triamine

C6H17N3 — CID 23298659

IUPAChexane-1,5,5-triamine
SMILESCC(N)(N)CCCCN
InChIInChI=1S/C6H17N3/c1-6(8,9)4-2-3-5-7/h2-5,7-9H2,1H3
InChIKeyQWBZTOSTOSZLSF-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.25
Rot. Bonds4

About hexane-1,5,5-triamine

hexane-1,5,5-triamine (PubChem CID 23298659) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is hexane-1,5,5-triamine.

Molecular Properties

Compound Namehexane-1,5,5-triamine
PubChem CID23298659
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Namehexane-1,5,5-triamine
SMILESCC(N)(N)CCCCN
InChIInChI=1S/C6H17N3/c1-6(8,9)4-2-3-5-7/h2-5,7-9H2,1H3
InChIKeyQWBZTOSTOSZLSF-UHFFFAOYSA-N
XLogP-0.25
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

12,12-dimethyltridecan-1-amine
CID 87103604
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
18,18-dimethylnonadecan-1-amine
CID 53249240
11-methyldodecane-1,11-diamine;propane
CID 145179809
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
propane-1,3-diamine;propane-2,2-diamine
CID 159356345
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
CID 160729242
CID 160729242
4,4-dimethylpentan-1-amine
CID 14454757
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,8-diamino-2-methyloctanoic acid
CID 87814639
1,1-dichlorooctane-1,8-diamine
CID 54561290

Frequently Asked Questions

What is the IUPAC name of hexane-1,5,5-triamine?
The IUPAC name of hexane-1,5,5-triamine (CID 23298659) is hexane-1,5,5-triamine.
What is the SMILES notation for hexane-1,5,5-triamine?
The canonical SMILES for hexane-1,5,5-triamine is CC(N)(N)CCCCN.
What is the InChIKey of hexane-1,5,5-triamine?
The InChIKey is QWBZTOSTOSZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-6(8,9)4-2-3-5-7/h2-5,7-9H2,1H3.
What are the key properties of hexane-1,5,5-triamine?
hexane-1,5,5-triamine has a molecular weight of 131.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,5,5-triamine is sourced from PubChem (CID 23298659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).