trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride

C6H14ClNO — CID 11715205

IUPACtrans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m0./s1
InChIKeyLKKCSUHCVGCGFA-GEMLJDPKSA-N
MW151.64 g/mol
LogP0.67
Rot. Bonds

About trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride

trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride (PubChem CID 11715205) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride
PubChem CID11715205
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nametrans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride
SMILESCl.N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m0./s1
InChIKeyLKKCSUHCVGCGFA-GEMLJDPKSA-N
XLogP0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride (CID 11715205) is trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride is Cl.N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride?
The InChIKey is LKKCSUHCVGCGFA-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride?
trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 11715205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).