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

C8H17NO — CID 96636765

IUPACtrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C8H17NO/c1-8(2)4-3-7(10)6(9)5-8/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m1/s1
InChIKeyJWOAXHVWBQPKKV-RNFRBKRXSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds

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

trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol (PubChem CID 96636765) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
PubChem CID96636765
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C8H17NO/c1-8(2)4-3-7(10)6(9)5-8/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m1/s1
InChIKeyJWOAXHVWBQPKKV-RNFRBKRXSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
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?
The IUPAC name of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol (CID 96636765) is trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol is CC1(C)CC[C@@H](O)[C@H](N)C1.
What is the InChIKey of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol?
The InChIKey is JWOAXHVWBQPKKV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-3-7(10)6(9)5-8/h6-7,10H,3-5,9H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol?
trans-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 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 is sourced from PubChem (CID 96636765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).