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

C8H17NO — CID 30817490

IUPACcis-(1S,2R)-2-methoxycycloheptan-1-amine
SMILESCO[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyVAPWMUWLKYOLFO-JGVFFNPUSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds1

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

cis-(1S,2R)-2-methoxycycloheptan-1-amine (PubChem CID 30817490) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-methoxycycloheptan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-methoxycycloheptan-1-amine
PubChem CID30817490
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,2R)-2-methoxycycloheptan-1-amine
SMILESCO[C@@H]1CCCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyVAPWMUWLKYOLFO-JGVFFNPUSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze cis-(1S,2R)-2-methoxycycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The IUPAC name of cis-(1S,2R)-2-methoxycycloheptan-1-amine (CID 30817490) is cis-(1S,2R)-2-methoxycycloheptan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-methoxycycloheptan-1-amine is CO[C@@H]1CCCCC[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
The InChIKey is VAPWMUWLKYOLFO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-methoxycycloheptan-1-amine?
cis-(1S,2R)-2-methoxycycloheptan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methoxycycloheptan-1-amine is sourced from PubChem (CID 30817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).