1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine

C14H25NO — CID 63015054

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C14H25NO/c1-15-14(13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyCLZGREBNGNAOSL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine

1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 63015054) 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-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID63015054
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C14H25NO/c1-15-14(13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyCLZGREBNGNAOSL-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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Related Compounds

2-(1-Cyclohepta-1,3,6-trien-1-yl-2-methoxyethyl)piperidine
CID 143554033
(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155149784
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
CID 55150507
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 63015054) is 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(C1=CCCCCC1)C1CCCOC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is CLZGREBNGNAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-14(13-9-6-10-16-11-13)12-7-4-2-3-5-8-12/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-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-(oxan-3-yl)methanamine is sourced from PubChem (CID 63015054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).