cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine

C17H23N — CID 62881918

IUPACcyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
SMILESNC(C1=CCCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N/c18-16(14-8-4-1-2-5-9-14)17(12-13-17)15-10-6-3-7-11-15/h3,6-8,10-11,16H,1-2,4-5,9,12-13,18H2
InChIKeyZNOVFIKZDFYDFI-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.94
Rot. Bonds3

About cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine

cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine (PubChem CID 62881918) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
PubChem CID62881918
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Namecyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
SMILESNC(C1=CCCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N/c18-16(14-8-4-1-2-5-9-14)17(12-13-17)15-10-6-3-7-11-15/h3,6-8,10-11,16H,1-2,4-5,9,12-13,18H2
InChIKeyZNOVFIKZDFYDFI-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexen-1-yl-(4-phenyloxan-4-yl)methyl]hydrazine
CID 106648866
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
cyclohexen-1-yl-(1-piperidin-1-ylcyclopentyl)methanamine
CID 106653694
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
CID 102647412
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
cyclohepten-1-yl-(4-methoxyoxan-4-yl)methanamine
CID 106654606
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine?
The IUPAC name of cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine (CID 62881918) is cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine is NC(C1=CCCCCC1)C1(c2ccccc2)CC1.
What is the InChIKey of cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine?
The InChIKey is ZNOVFIKZDFYDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c18-16(14-8-4-1-2-5-9-14)17(12-13-17)15-10-6-3-7-11-15/h3,6-8,10-11,16H,1-2,4-5,9,12-13,18H2.
What are the key properties of cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine?
cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine has a molecular weight of 241.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine is sourced from PubChem (CID 62881918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).