1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C14H25NO — CID 79758456

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCOC1C
InChIInChI=1S/C14H25NO/c1-11-13(9-10-16-11)14(15-2)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyALENEOBZWVVZRY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 79758456) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID79758456
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCOC1C
InChIInChI=1S/C14H25NO/c1-11-13(9-10-16-11)14(15-2)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyALENEOBZWVVZRY-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 79758456) is 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(C1=CCCCCC1)C1CCOC1C.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is ALENEOBZWVVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-13(9-10-16-11)14(15-2)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79758456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).