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

C13H23NO — CID 62905141

IUPACcyclohepten-1-yl(oxan-4-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13H,1-4,6-10,14H2
InChIKeyGTHMYBCFNWVPBM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds2

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

cyclohepten-1-yl(oxan-4-yl)methanamine (PubChem CID 62905141) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclohepten-1-yl(oxan-4-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(oxan-4-yl)methanamine
PubChem CID62905141
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclohepten-1-yl(oxan-4-yl)methanamine
SMILESNC(C1=CCCCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13H,1-4,6-10,14H2
InChIKeyGTHMYBCFNWVPBM-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
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

[4-(Oxan-4-yl)cyclohexa-1,3-dien-1-yl]methanamine
CID 123818058
4-(2,3,6,7-Tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
CID 142935844
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
Cyclohepten-1-yl(oxolan-3-yl)methanamine
CID 62078202
Cyclopenten-1-yl(oxolan-3-yl)methanamine
CID 62078335
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
Cyclohexen-1-yl(oxolan-3-yl)methanamine
CID 62079372
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
Cyclopenten-1-yl(oxan-4-yl)methanamine
CID 62904964
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

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxan-4-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(oxan-4-yl)methanamine (CID 62905141) is cyclohepten-1-yl(oxan-4-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(oxan-4-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(oxan-4-yl)methanamine is NC(C1=CCCCCC1)C1CCOCC1.
What is the InChIKey of cyclohepten-1-yl(oxan-4-yl)methanamine?
The InChIKey is GTHMYBCFNWVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(12-7-9-15-10-8-12)11-5-3-1-2-4-6-11/h5,12-13H,1-4,6-10,14H2.
What are the key properties of cyclohepten-1-yl(oxan-4-yl)methanamine?
cyclohepten-1-yl(oxan-4-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(oxan-4-yl)methanamine is sourced from PubChem (CID 62905141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).