cyclohepten-1-yl(oxolan-3-yl)methanamine

C12H21NO — CID 62078202

IUPACcyclohepten-1-yl(oxolan-3-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCOC1
InChIInChI=1S/C12H21NO/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeyXNUREZDZMWKRMB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.24
Rot. Bonds2

About cyclohepten-1-yl(oxolan-3-yl)methanamine

cyclohepten-1-yl(oxolan-3-yl)methanamine (PubChem CID 62078202) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclohepten-1-yl(oxolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(oxolan-3-yl)methanamine
PubChem CID62078202
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclohepten-1-yl(oxolan-3-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCOC1
InChIInChI=1S/C12H21NO/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeyXNUREZDZMWKRMB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079407
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62904965
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxolan-3-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(oxolan-3-yl)methanamine (CID 62078202) is cyclohepten-1-yl(oxolan-3-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(oxolan-3-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(oxolan-3-yl)methanamine is NC(C1=CCCCCC1)C1CCOC1.
What is the InChIKey of cyclohepten-1-yl(oxolan-3-yl)methanamine?
The InChIKey is XNUREZDZMWKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,13H2.
What are the key properties of cyclohepten-1-yl(oxolan-3-yl)methanamine?
cyclohepten-1-yl(oxolan-3-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.24, 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-3-yl)methanamine is sourced from PubChem (CID 62078202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).