trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride

C8H18ClNO — CID 126838636

IUPACtrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride
SMILESCC1(C)CC[C@@H](O)[C@H](N)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)4-3-7(10)6(9)5-8;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyPIWVZFGTSCLQLX-ZJLYAJKPSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds

About trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride

trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride (PubChem CID 126838636) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride
PubChem CID126838636
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Nametrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride
SMILESCC1(C)CC[C@@H](O)[C@H](N)C1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)4-3-7(10)6(9)5-8;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyPIWVZFGTSCLQLX-ZJLYAJKPSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride (CID 126838636) is trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride is CC1(C)CC[C@@H](O)[C@H](N)C1.Cl.
What is the InChIKey of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride?
The InChIKey is PIWVZFGTSCLQLX-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2)4-3-7(10)6(9)5-8;/h6-7,10H,3-5,9H2,1-2H3;1H/t6-,7-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride?
trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 126838636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).