N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine

C15H23NO — CID 62080388

IUPACN-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1ccoc1
InChIInChI=1S/C15H23NO/c1-2-10-16-15(14-9-11-17-12-14)13-7-5-3-4-6-8-13/h7,9,11-12,15-16H,2-6,8,10H2,1H3
InChIKeyYPULFZNBKRCNQM-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.21
Rot. Bonds5

About N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine (PubChem CID 62080388) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
PubChem CID62080388
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1ccoc1
InChIInChI=1S/C15H23NO/c1-2-10-16-15(14-9-11-17-12-14)13-7-5-3-4-6-8-13/h7,9,11-12,15-16H,2-6,8,10H2,1H3
InChIKeyYPULFZNBKRCNQM-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106656418
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[(3-bromo-5-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106653510
N-[(3-bromo-5-chlorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 107947128
N-[[(1E)-cycloocten-1-yl]-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 106656613

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine (CID 62080388) is N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)c1ccoc1.
What is the InChIKey of N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine?
The InChIKey is YPULFZNBKRCNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-10-16-15(14-9-11-17-12-14)13-7-5-3-4-6-8-13/h7,9,11-12,15-16H,2-6,8,10H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 62080388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).