cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine

C8H18N2O — CID 58874408

IUPACcis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine
SMILESCCOC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C8H18N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h6-8H,2-5,9-10H2,1H3/t6?,7-,8+/m0/s1
InChIKeyWYQKSIZGLHKUNY-ZHFSPANRSA-N
MW158.24 g/mol
LogP0.23
Rot. Bonds2

About cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine

cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine (PubChem CID 58874408) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine
PubChem CID58874408
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Namecis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine
SMILESCCOC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C8H18N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h6-8H,2-5,9-10H2,1H3/t6?,7-,8+/m0/s1
InChIKeyWYQKSIZGLHKUNY-ZHFSPANRSA-N
XLogP0.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine (CID 58874408) is cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine is CCOC1CC[C@H](N)[C@H](N)C1.
What is the InChIKey of cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine?
The InChIKey is WYQKSIZGLHKUNY-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h6-8H,2-5,9-10H2,1H3/t6?,7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine?
cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-ethoxycyclohexane-1,2-diamine is sourced from PubChem (CID 58874408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).