cis-(1S,3R)-3-methoxycyclohexan-1-amine

C7H15NO — CID 51381085

IUPACcis-(1S,3R)-3-methoxycyclohexan-1-amine
SMILESCO[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C7H15NO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyJQGZGROVQGEGIO-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds1

About cis-(1S,3R)-3-methoxycyclohexan-1-amine

cis-(1S,3R)-3-methoxycyclohexan-1-amine (PubChem CID 51381085) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is cis-(1S,3R)-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-methoxycyclohexan-1-amine
PubChem CID51381085
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namecis-(1S,3R)-3-methoxycyclohexan-1-amine
SMILESCO[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C7H15NO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyJQGZGROVQGEGIO-NKWVEPMBSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methoxycyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-methoxycyclohexan-1-amine (CID 51381085) is cis-(1S,3R)-3-methoxycyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-methoxycyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-methoxycyclohexan-1-amine is CO[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-methoxycyclohexan-1-amine?
The InChIKey is JQGZGROVQGEGIO-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-(1S,3R)-3-methoxycyclohexan-1-amine?
cis-(1S,3R)-3-methoxycyclohexan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 51381085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).