cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol

C8H17NO — CID 97052724

IUPACcis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
SMILESCC[C@]1(O)CCC[C@H](N)C1
InChIInChI=1S/C8H17NO/c1-2-8(10)5-3-4-7(9)6-8/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyITBPCBNLAJZQGY-YUMQZZPRSA-N
MW143.23 g/mol
LogP1.03
Rot. Bonds1

About cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol

cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol (PubChem CID 97052724) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
PubChem CID97052724
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
SMILESCC[C@]1(O)CCC[C@H](N)C1
InChIInChI=1S/C8H17NO/c1-2-8(10)5-3-4-7(9)6-8/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1
InChIKeyITBPCBNLAJZQGY-YUMQZZPRSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(cyclopentylmethyl)cyclohexan-1-ol
CID 80562099
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
1-ethyl-3-(2-hydroxyethyl)cyclohexan-1-ol
CID 121279290
3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 80561480
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
3-amino-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114529231
3-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 80561478
3,3-diethylcyclopentan-1-amine;methanol
CID 174812528
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol (CID 97052724) is cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol is CC[C@]1(O)CCC[C@H](N)C1.
What is the InChIKey of cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol?
The InChIKey is ITBPCBNLAJZQGY-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(10)5-3-4-7(9)6-8/h7,10H,2-6,9H2,1H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol?
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol is sourced from PubChem (CID 97052724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).