2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride

C8H19ClN2 — CID 172765796

IUPAC2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCNC1CCCCC1(C)N.Cl
InChIInChI=1S/C8H18N2.ClH/c1-8(9)6-4-3-5-7(8)10-2;/h7,10H,3-6,9H2,1-2H3;1H
InChIKeyMHHVBLZAZRSRMZ-UHFFFAOYSA-N
MW178.71 g/mol
LogP1.29
Rot. Bonds1

About 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride

2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride (PubChem CID 172765796) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
PubChem CID172765796
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Name2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCNC1CCCCC1(C)N.Cl
InChIInChI=1S/C8H18N2.ClH/c1-8(9)6-4-3-5-7(8)10-2;/h7,10H,3-6,9H2,1-2H3;1H
InChIKeyMHHVBLZAZRSRMZ-UHFFFAOYSA-N
XLogP1.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride (CID 172765796) is 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride is CNC1CCCCC1(C)N.Cl.
What is the InChIKey of 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride?
The InChIKey is MHHVBLZAZRSRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.ClH/c1-8(9)6-4-3-5-7(8)10-2;/h7,10H,3-6,9H2,1-2H3;1H.
What are the key properties of 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride?
2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride is sourced from PubChem (CID 172765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).