N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride

C6H14ClN — CID 87367130

IUPACN,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride
SMILESCl.[2H]N([2H])C1([2H])CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H/i1D2,2D2,3D2,4D2,6D;/hD2
InChIKeyZJUGSKJHHWASAF-TWWGYSQASA-N
MW146.71 g/mol
LogP1.70
Rot. Bonds1

About N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride

N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride (PubChem CID 87367130) has the molecular formula C6H14ClN and a molecular weight of 146.71 g/mol. Its IUPAC name is N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride
PubChem CID87367130
Molecular FormulaC6H14ClN
Molecular Weight146.71 g/mol
Exact Mass146.15
IUPAC NameN,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride
SMILESCl.[2H]N([2H])C1([2H])CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H/i1D2,2D2,3D2,4D2,6D;/hD2
InChIKeyZJUGSKJHHWASAF-TWWGYSQASA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.71
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride?
The IUPAC name of N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride (CID 87367130) is N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride?
The canonical SMILES for N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride is Cl.[2H]N([2H])C1([2H])CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride?
The InChIKey is ZJUGSKJHHWASAF-TWWGYSQASA-N. The full InChI is InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H/i1D2,2D2,3D2,4D2,6D;/hD2.
What are the key properties of N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride?
N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride has a molecular weight of 146.71 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 87367130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).