cyclohepten-1-yl(oxolan-2-yl)methanamine

C12H21NO — CID 62079084

IUPACcyclohepten-1-yl(oxolan-2-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-12H,1-5,7-9,13H2
InChIKeyKURCWNIJTKPMSP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds2

About cyclohepten-1-yl(oxolan-2-yl)methanamine

cyclohepten-1-yl(oxolan-2-yl)methanamine (PubChem CID 62079084) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohepten-1-yl(oxolan-2-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(oxolan-2-yl)methanamine
PubChem CID62079084
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohepten-1-yl(oxolan-2-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-12H,1-5,7-9,13H2
InChIKeyKURCWNIJTKPMSP-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohepten-1-yl(oxolan-2-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62077854
N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078217
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078549
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078709
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078853
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62079044
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62079069
Cyclopenten-1-yl(oxolan-2-yl)methanamine
CID 62079404
Cyclohexen-1-yl(oxolan-2-yl)methanamine
CID 62080509
Cyclohexen-1-yl(oxan-2-yl)methanamine
CID 62212632
Cyclopenten-1-yl(oxan-2-yl)methanamine
CID 62212812

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxolan-2-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(oxolan-2-yl)methanamine (CID 62079084) is cyclohepten-1-yl(oxolan-2-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(oxolan-2-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(oxolan-2-yl)methanamine is NC(C1=CCCCCC1)C1CCCO1.
What is the InChIKey of cyclohepten-1-yl(oxolan-2-yl)methanamine?
The InChIKey is KURCWNIJTKPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(11-8-5-9-14-11)10-6-3-1-2-4-7-10/h6,11-12H,1-5,7-9,13H2.
What are the key properties of cyclohepten-1-yl(oxolan-2-yl)methanamine?
cyclohepten-1-yl(oxolan-2-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(oxolan-2-yl)methanamine is sourced from PubChem (CID 62079084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).