1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C16H29NO — CID 65156299

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29NO/c1-11-12(2)18-13(3)15(11)16(17-4)14-9-7-5-6-8-10-14/h9,11-13,15-17H,5-8,10H2,1-4H3
InChIKeyVGWXMYPQCJHWFL-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.52
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156299) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156299
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1C(C)OC(C)C1C
InChIInChI=1S/C16H29NO/c1-11-12(2)18-13(3)15(11)16(17-4)14-9-7-5-6-8-10-14/h9,11-13,15-17H,5-8,10H2,1-4H3
InChIKeyVGWXMYPQCJHWFL-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine with MolForge

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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
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
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
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
1-(cyclopenten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62904965
N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 62904967
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905142

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156299) is 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(C1=CCCCCC1)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is VGWXMYPQCJHWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-12(2)18-13(3)15(11)16(17-4)14-9-7-5-6-8-10-14/h9,11-13,15-17H,5-8,10H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 251.41 g/mol, XLogP of 3.52, 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-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).