hexane-1,2,3,4,5,6-hexamine

C6H20N6 — CID 71311311

IUPAChexane-1,2,3,4,5,6-hexamine
SMILESNCC(N)C(N)C(N)C(N)CN
InChIInChI=1S/C6H20N6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6H,1-2,7-12H2
InChIKeyPIJGCIFQPQGTTG-UHFFFAOYSA-N
MW176.27 g/mol
LogP-3.79
Rot. Bonds5

About hexane-1,2,3,4,5,6-hexamine

hexane-1,2,3,4,5,6-hexamine (PubChem CID 71311311) has the molecular formula C6H20N6 and a molecular weight of 176.27 g/mol. Its IUPAC name is hexane-1,2,3,4,5,6-hexamine.

Molecular Properties

Compound Namehexane-1,2,3,4,5,6-hexamine
PubChem CID71311311
Molecular FormulaC6H20N6
Molecular Weight176.27 g/mol
Exact Mass176.17
IUPAC Namehexane-1,2,3,4,5,6-hexamine
SMILESNCC(N)C(N)C(N)C(N)CN
InChIInChI=1S/C6H20N6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6H,1-2,7-12H2
InChIKeyPIJGCIFQPQGTTG-UHFFFAOYSA-N
XLogP-3.79
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500176.27
LogP ≤ 5-3.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

Hexane-2,5-diamine
CID 14849721
1,4-Dimethylputrescine
CID 162247
1,3,6-Triaminohexane
CID 124313
1,4,7-Triaminoheptane
CID 164909
Pentane-1,3,5-triamine
CID 12406639
1,4-Diaminohexane
CID 14576686
Hexane-1,3-diamine
CID 19880522
1,2,3,4-Tetraaminobutane
CID 6395580
Hexane-1,2-diamine
CID 10362464
Hexane-1,5-diamine
CID 11007871
3,4-Hexanediamine
CID 12656175
Diamine hexamethylene-diamine
CID 18373724

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,4,5,6-hexamine?
The IUPAC name of hexane-1,2,3,4,5,6-hexamine (CID 71311311) is hexane-1,2,3,4,5,6-hexamine.
What is the SMILES notation for hexane-1,2,3,4,5,6-hexamine?
The canonical SMILES for hexane-1,2,3,4,5,6-hexamine is NCC(N)C(N)C(N)C(N)CN.
What is the InChIKey of hexane-1,2,3,4,5,6-hexamine?
The InChIKey is PIJGCIFQPQGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20N6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6H,1-2,7-12H2.
What are the key properties of hexane-1,2,3,4,5,6-hexamine?
hexane-1,2,3,4,5,6-hexamine has a molecular weight of 176.27 g/mol, XLogP of -3.79, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,4,5,6-hexamine is sourced from PubChem (CID 71311311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).