1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

C14H25NO — CID 62905142

IUPAC1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyMYPSCFRKEHQDBI-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds3

About 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62905142) 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-4-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62905142
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1=CCCCCC1)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3
InChIKeyMYPSCFRKEHQDBI-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

3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
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(2R,5S)-2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpiperidine
CID 169113536
5-(Oxan-4-yl)-1,2,3,4,7,8-hexahydroazocine
CID 173708062
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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
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62905142) is 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1=CCCCCC1)C1CCOCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is MYPSCFRKEHQDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h6,13-15H,2-5,7-11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(cyclohepten-1-yl)-N-methyl-1-(oxan-4-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-4-yl)methanamine is sourced from PubChem (CID 62905142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).