cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol

C8H17NO — CID 55291251

IUPACcis-(1R,2S)-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+/m0/s1
InChIKeyJWOAXHVWBQPKKV-NKWVEPMBSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds

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

cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol (PubChem CID 55291251) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
PubChem CID55291251
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1R,2S)-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+/m0/s1
InChIKeyJWOAXHVWBQPKKV-NKWVEPMBSA-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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Related Compounds

rac-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol hydrochloride
CID 126838636
4-Amino-2,2-dimethylcyclohexan-1-ol hydrochloride
CID 137935094
NoName_3502
CID 57127015
2-Amino-4-tert-butylcyclohexan-1-ol
CID 44287735
4-Amino-2,2-dimethylcyclohexanol
CID 21291621
4-(1-Amino-2-fluoro-ethyl)-4-ethyl-cyclohexanol
CID 58380838
cis-5-Amino-3,3-dimethyl-cyclohexanol
CID 10464432
rac-(1R,2R)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 96636765
2-Amino-1-cyclohexyl-6-methylheptan-3-ol
CID 14671721
2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane
CID 14671722
2-Amino-1-cyclohexylheptan-3-ol
CID 14775290
(2S,3S)-2-amino-1-cyclohexylheptan-3-ol
CID 14775291

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol (CID 55291251) is cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol is CC1(C)CC[C@@H](O)[C@@H](N)C1.
What is the InChIKey of cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol?
The InChIKey is JWOAXHVWBQPKKV-NKWVEPMBSA-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+/m0/s1.
What are the key properties of cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol?
cis-(1R,2S)-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 cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 55291251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).