cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 141264865

IUPACcis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESC[C@H]1CCC(C)(C)C[C@H]1N.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-4-5-9(2,3)6-8(7)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeyAMZKFOPJXJSPJF-KZYPOYLOSA-N
MW177.72 g/mol
LogP2.58
Rot. Bonds

About cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride

cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride (PubChem CID 141264865) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
PubChem CID141264865
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Namecis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESC[C@H]1CCC(C)(C)C[C@H]1N.Cl
InChIInChI=1S/C9H19N.ClH/c1-7-4-5-9(2,3)6-8(7)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeyAMZKFOPJXJSPJF-KZYPOYLOSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7,7-trimethylcyclooctan-1-amine
CID 167202937
6-methylspiro[2.5]octan-7-amine;hydrochloride
CID 67385635
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
2-(3,4-dimethylpyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 79188144
2-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexan-1-amine
CID 81014099
3,3,6-trimethylcyclononan-1-amine
CID 170122621
(2R)-2-amino-5,5-dimethylcyclohexane-1-carbonitrile
CID 143799730
trimethyl-[2-[(2,5,5-trimethylcyclohexyl)methoxy]ethyl]silane
CID 58770250
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride (CID 141264865) is cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride is C[C@H]1CCC(C)(C)C[C@H]1N.Cl.
What is the InChIKey of cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is AMZKFOPJXJSPJF-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-7-4-5-9(2,3)6-8(7)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1.
What are the key properties of cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride?
cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2,5,5-trimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 141264865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).