1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C12H21NO — CID 62078853

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h6,11-13H,2-5,7-9H2,1H3
InChIKeyTVVHMOVVEOAZMZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds3

About 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 62078853) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID62078853
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1=CCCCC1)C1CCCO1
InChIInChI=1S/C12H21NO/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h6,11-13H,2-5,7-9H2,1H3
InChIKeyTVVHMOVVEOAZMZ-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 62078853) is 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(C1=CCCCC1)C1CCCO1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is TVVHMOVVEOAZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-12(11-8-5-9-14-11)10-6-3-2-4-7-10/h6,11-13H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62078853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).