1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C15H27NO — CID 65156346

IUPAC1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c1-16-15(11-10-14-9-6-12-17-14)13-7-4-2-3-5-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyPATLSNPULGVQRV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds5

About 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65156346) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID65156346
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c1-16-15(11-10-14-9-6-12-17-14)13-7-4-2-3-5-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyPATLSNPULGVQRV-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
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-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 65156346) is 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is PATLSNPULGVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-16-15(11-10-14-9-6-12-17-14)13-7-4-2-3-5-8-13/h7,14-16H,2-6,8-12H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 5 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-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65156346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).