hexane-1,4-diamine

C6H16N2 — CID 14576686

IUPAChexane-1,4-diamine
SMILESCCC(N)CCCN
InChIInChI=1S/C6H16N2/c1-2-6(8)4-3-5-7/h6H,2-5,7-8H2,1H3
InChIKeyHYQBVSXBLGKEDT-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds4

About hexane-1,4-diamine

hexane-1,4-diamine (PubChem CID 14576686) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is hexane-1,4-diamine.

Molecular Properties

Compound Namehexane-1,4-diamine
PubChem CID14576686
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namehexane-1,4-diamine
SMILESCCC(N)CCCN
InChIInChI=1S/C6H16N2/c1-2-6(8)4-3-5-7/h6H,2-5,7-8H2,1H3
InChIKeyHYQBVSXBLGKEDT-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze hexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexamethylenediamine
CID 16402
2-Aminoheptane
CID 5603
1-Heptanamine
CID 8127
2-Octylamine
CID 12735
1,3-Diaminopentane
CID 102444
1,6-Diaminohexane
CID 1549137
4-Heptanamine
CID 38665
3-Heptanamine
CID 34203
2-Hexanamine
CID 21405
1-Hexanamine, hydrochloride (1:1)
CID 67342
1,7-Heptanediamine
CID 69533
2-Undecanamine
CID 114476

Frequently Asked Questions

What is the IUPAC name of hexane-1,4-diamine?
The IUPAC name of hexane-1,4-diamine (CID 14576686) is hexane-1,4-diamine.
What is the SMILES notation for hexane-1,4-diamine?
The canonical SMILES for hexane-1,4-diamine is CCC(N)CCCN.
What is the InChIKey of hexane-1,4-diamine?
The InChIKey is HYQBVSXBLGKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-2-6(8)4-3-5-7/h6H,2-5,7-8H2,1H3.
What are the key properties of hexane-1,4-diamine?
hexane-1,4-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,4-diamine is sourced from PubChem (CID 14576686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).