3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

C17H21NS — CID 114543876

IUPAC3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(-c3ccccc3)s2)C1
InChIInChI=1S/C17H21NS/c1-13-7-8-15(11-13)18-12-16-9-10-17(19-16)14-5-3-2-4-6-14/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3
InChIKeyYJFLWAADKPBYJQ-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.69
Rot. Bonds4

About 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 114543876) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID114543876
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCC1CCC(NCc2ccc(-c3ccccc3)s2)C1
InChIInChI=1S/C17H21NS/c1-13-7-8-15(11-13)18-12-16-9-10-17(19-16)14-5-3-2-4-6-14/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3
InChIKeyYJFLWAADKPBYJQ-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

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
N-[(5-phenylthiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611628
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[[5-(3,5-difluorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43287171
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (CID 114543876) is 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is CC1CCC(NCc2ccc(-c3ccccc3)s2)C1.
What is the InChIKey of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is YJFLWAADKPBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13-7-8-15(11-13)18-12-16-9-10-17(19-16)14-5-3-2-4-6-14/h2-6,9-10,13,15,18H,7-8,11-12H2,1H3.
What are the key properties of 3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
3-methyl-N-[(5-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-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114543876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).