1-(oxan-4-ylmethyl)cycloheptan-1-amine

C13H25NO — CID 62621968

IUPAC1-(oxan-4-ylmethyl)cycloheptan-1-amine
SMILESNC1(CC2CCOCC2)CCCCCC1
InChIInChI=1S/C13H25NO/c14-13(7-3-1-2-4-8-13)11-12-5-9-15-10-6-12/h12H,1-11,14H2
InChIKeyRRGXJLXUXGKQNH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds2

About 1-(oxan-4-ylmethyl)cycloheptan-1-amine

1-(oxan-4-ylmethyl)cycloheptan-1-amine (PubChem CID 62621968) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)cycloheptan-1-amine
PubChem CID62621968
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(oxan-4-ylmethyl)cycloheptan-1-amine
SMILESNC1(CC2CCOCC2)CCCCCC1
InChIInChI=1S/C13H25NO/c14-13(7-3-1-2-4-8-13)11-12-5-9-15-10-6-12/h12H,1-11,14H2
InChIKeyRRGXJLXUXGKQNH-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-4-ylmethyl)cycloheptan-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 1-(oxan-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)cycloheptan-1-amine (CID 62621968) is 1-(oxan-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)cycloheptan-1-amine is NC1(CC2CCOCC2)CCCCCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is RRGXJLXUXGKQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-13(7-3-1-2-4-8-13)11-12-5-9-15-10-6-12/h12H,1-11,14H2.
What are the key properties of 1-(oxan-4-ylmethyl)cycloheptan-1-amine?
1-(oxan-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 62621968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).