cis-(1R,2S)-2-ethoxycyclohexan-1-amine

C8H17NO — CID 10964632

IUPACcis-(1R,2S)-2-ethoxycyclohexan-1-amine
SMILESCCO[C@H]1CCCC[C@H]1N
InChIInChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyYCYAEUYTQSONCV-SFYZADRCSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds2

About cis-(1R,2S)-2-ethoxycyclohexan-1-amine

cis-(1R,2S)-2-ethoxycyclohexan-1-amine (PubChem CID 10964632) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethoxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethoxycyclohexan-1-amine
PubChem CID10964632
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1R,2S)-2-ethoxycyclohexan-1-amine
SMILESCCO[C@H]1CCCC[C@H]1N
InChIInChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1
InChIKeyYCYAEUYTQSONCV-SFYZADRCSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethoxycyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-ethoxycyclohexan-1-amine (CID 10964632) is cis-(1R,2S)-2-ethoxycyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-ethoxycyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-ethoxycyclohexan-1-amine is CCO[C@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-ethoxycyclohexan-1-amine?
The InChIKey is YCYAEUYTQSONCV-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethoxycyclohexan-1-amine?
cis-(1R,2S)-2-ethoxycyclohexan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethoxycyclohexan-1-amine is sourced from PubChem (CID 10964632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).