hexane-1,4-diamine;hydrochloride

C6H17ClN2 — CID 118144198

IUPAChexane-1,4-diamine;hydrochloride
SMILESCCC(N)CCCN.Cl
InChIInChI=1S/C6H16N2.ClH/c1-2-6(8)4-3-5-7;/h6H,2-5,7-8H2,1H3;1H
InChIKeyPYNHTYRKUNLAIE-UHFFFAOYSA-N
MW152.67 g/mol
LogP0.88
Rot. Bonds4

About hexane-1,4-diamine;hydrochloride

hexane-1,4-diamine;hydrochloride (PubChem CID 118144198) has the molecular formula C6H17ClN2 and a molecular weight of 152.67 g/mol. Its IUPAC name is hexane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Namehexane-1,4-diamine;hydrochloride
PubChem CID118144198
Molecular FormulaC6H17ClN2
Molecular Weight152.67 g/mol
Exact Mass152.11
IUPAC Namehexane-1,4-diamine;hydrochloride
SMILESCCC(N)CCCN.Cl
InChIInChI=1S/C6H16N2.ClH/c1-2-6(8)4-3-5-7;/h6H,2-5,7-8H2,1H3;1H
InChIKeyPYNHTYRKUNLAIE-UHFFFAOYSA-N
XLogP0.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.67
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hexane-1,4-diamine;trihydrate
CID 173409010
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tritriactan-3-amine;hydrochloride
CID 173389490
heptane-1,4-diamine
CID 18547393
tridecane-1,4,7,10-tetramine
CID 175128174
tridecane-1,4,7,10,13-pentamine
CID 86224803
4-ethyloctane-1,6-diamine
CID 89464533
tridecan-3-amine
CID 19435959
octane-1,4,8-triamine
CID 18544198
tetradecane-3,11-diamine
CID 170279817
tetradecan-3-amine;hydrobromide
CID 173393490
tetradecane-3,6,9,12-tetramine
CID 140993886

Frequently Asked Questions

What is the IUPAC name of hexane-1,4-diamine;hydrochloride?
The IUPAC name of hexane-1,4-diamine;hydrochloride (CID 118144198) is hexane-1,4-diamine;hydrochloride.
What is the SMILES notation for hexane-1,4-diamine;hydrochloride?
The canonical SMILES for hexane-1,4-diamine;hydrochloride is CCC(N)CCCN.Cl.
What is the InChIKey of hexane-1,4-diamine;hydrochloride?
The InChIKey is PYNHTYRKUNLAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.ClH/c1-2-6(8)4-3-5-7;/h6H,2-5,7-8H2,1H3;1H.
What are the key properties of hexane-1,4-diamine;hydrochloride?
hexane-1,4-diamine;hydrochloride has a molecular weight of 152.67 g/mol, XLogP of 0.88, 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;hydrochloride is sourced from PubChem (CID 118144198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).