2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride

C11H26ClN3 — CID 155906377

IUPAC2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCN(C)C1CCCCC1N(C)CCN.Cl
InChIInChI=1S/C11H25N3.ClH/c1-13(2)10-6-4-5-7-11(10)14(3)9-8-12;/h10-11H,4-9,12H2,1-3H3;1H
InChIKeyVHLGPGXSTBOGBB-UHFFFAOYSA-N
MW235.80 g/mol
LogP1.17
Rot. Bonds4

About 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride

2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride (PubChem CID 155906377) has the molecular formula C11H26ClN3 and a molecular weight of 235.80 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride
PubChem CID155906377
Molecular FormulaC11H26ClN3
Molecular Weight235.80 g/mol
Exact Mass235.18
IUPAC Name2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride
SMILESCN(C)C1CCCCC1N(C)CCN.Cl
InChIInChI=1S/C11H25N3.ClH/c1-13(2)10-6-4-5-7-11(10)14(3)9-8-12;/h10-11H,4-9,12H2,1-3H3;1H
InChIKeyVHLGPGXSTBOGBB-UHFFFAOYSA-N
XLogP1.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride (CID 155906377) is 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride is CN(C)C1CCCCC1N(C)CCN.Cl.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride?
The InChIKey is VHLGPGXSTBOGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3.ClH/c1-13(2)10-6-4-5-7-11(10)14(3)9-8-12;/h10-11H,4-9,12H2,1-3H3;1H.
What are the key properties of 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride?
2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride has a molecular weight of 235.80 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N,1-N,2-N-trimethylcyclohexane-1,2-diamine;hydrochloride is sourced from PubChem (CID 155906377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).