[2-(furan-2-yl)cycloheptyl]methanamine

C12H19NO — CID 81010401

IUPAC[2-(furan-2-yl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccco1
InChIInChI=1S/C12H19NO/c13-9-10-5-2-1-3-6-11(10)12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyYJGWZMIEOQCHIH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds2

About [2-(furan-2-yl)cycloheptyl]methanamine

[2-(furan-2-yl)cycloheptyl]methanamine (PubChem CID 81010401) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [2-(furan-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(furan-2-yl)cycloheptyl]methanamine
PubChem CID81010401
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[2-(furan-2-yl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1c1ccco1
InChIInChI=1S/C12H19NO/c13-9-10-5-2-1-3-6-11(10)12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyYJGWZMIEOQCHIH-UHFFFAOYSA-N
XLogP2.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(furan-2-yl)cycloheptyl]methanamine 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 [2-(furan-2-yl)cycloheptyl]methanamine?
The IUPAC name of [2-(furan-2-yl)cycloheptyl]methanamine (CID 81010401) is [2-(furan-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(furan-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [2-(furan-2-yl)cycloheptyl]methanamine is NCC1CCCCCC1c1ccco1.
What is the InChIKey of [2-(furan-2-yl)cycloheptyl]methanamine?
The InChIKey is YJGWZMIEOQCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-9-10-5-2-1-3-6-11(10)12-7-4-8-14-12/h4,7-8,10-11H,1-3,5-6,9,13H2.
What are the key properties of [2-(furan-2-yl)cycloheptyl]methanamine?
[2-(furan-2-yl)cycloheptyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 81010401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).