N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine

C15H23NS — CID 62080201

IUPACN-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cccs1
InChIInChI=1S/C15H23NS/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h7-8,10,12,15-16H,2-6,9,11H2,1H3
InChIKeyWGUTXGSENPKBDV-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.68
Rot. Bonds5

About N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine

N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine (PubChem CID 62080201) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
PubChem CID62080201
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cccs1
InChIInChI=1S/C15H23NS/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h7-8,10,12,15-16H,2-6,9,11H2,1H3
InChIKeyWGUTXGSENPKBDV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.68
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

N-[cycloocten-1-yl-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106656872
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388
N-[[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106656418
N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[(3-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 81264775
N-[(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656754
N-[cycloocten-1-yl-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 106656610

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine (CID 62080201) is N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)c1cccs1.
What is the InChIKey of N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WGUTXGSENPKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-11-16-15(14-10-7-12-17-14)13-8-5-3-4-6-9-13/h7-8,10,12,15-16H,2-6,9,11H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine?
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.68, 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(thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62080201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).