hexane-3,4-diamine

C6H16N2 — CID 12656175

IUPAChexane-3,4-diamine
SMILESCCC(N)C(N)CC
InChIInChI=1S/C6H16N2/c1-3-5(7)6(8)4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyIWCAQTQMDRGMPI-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.46
Rot. Bonds3

About hexane-3,4-diamine

hexane-3,4-diamine (PubChem CID 12656175) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is hexane-3,4-diamine.

Molecular Properties

Compound Namehexane-3,4-diamine
PubChem CID12656175
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Namehexane-3,4-diamine
SMILESCCC(N)C(N)CC
InChIInChI=1S/C6H16N2/c1-3-5(7)6(8)4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyIWCAQTQMDRGMPI-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

3,4-diaminohexane-1,1-dithiol
CID 91505662
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
(2R)-2-aminobutane-1,1-diol
CID 148517870
(3R,4S)-4-aminohexan-3-ol
CID 640991
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
3-amino-1-fluoropentan-2-ol
CID 10772967
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568
4-amino-2,2-dimethylhexan-3-ol
CID 12801394
2-(methylideneamino)pentan-3-amine
CID 147607794
3,4-diaminohexan-2-one
CID 21059294
2-propan-2-ylsulfanylpentan-3-amine
CID 64633850
2,3-diaminopentanoic acid
CID 22719142

Frequently Asked Questions

What is the IUPAC name of hexane-3,4-diamine?
The IUPAC name of hexane-3,4-diamine (CID 12656175) is hexane-3,4-diamine.
What is the SMILES notation for hexane-3,4-diamine?
The canonical SMILES for hexane-3,4-diamine is CCC(N)C(N)CC.
What is the InChIKey of hexane-3,4-diamine?
The InChIKey is IWCAQTQMDRGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-3-5(7)6(8)4-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of hexane-3,4-diamine?
hexane-3,4-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-3,4-diamine is sourced from PubChem (CID 12656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).