3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

C17H21NS — CID 114543900

IUPAC3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21NS/c1-13-7-8-16(9-13)18-11-17-10-15(12-19-17)14-5-3-2-4-6-14/h2-6,10,12-13,16,18H,7-9,11H2,1H3
InChIKeyDUDPSJXDILLZRO-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.69
Rot. Bonds4

About 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 114543900) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID114543900
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2cc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21NS/c1-13-7-8-16(9-13)18-11-17-10-15(12-19-17)14-5-3-2-4-6-14/h2-6,10,12-13,16,18H,7-9,11H2,1H3
InChIKeyDUDPSJXDILLZRO-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine with MolForge

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Related Compounds

3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
5-[[(3-methylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114543819
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009317
1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
CID 115615379
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
molecular hydrogen;trans-(1R,2R)-2,3,4,4-tetramethyl-N-[(4-phenylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 144611701
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (CID 114543900) is 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is CC1CCC(NCc2cc(-c3ccccc3)cs2)C1.
What is the InChIKey of 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is DUDPSJXDILLZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13-7-8-16(9-13)18-11-17-10-15(12-19-17)14-5-3-2-4-6-14/h2-6,10,12-13,16,18H,7-9,11H2,1H3.
What are the key properties of 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114543900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).