N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine

C11H15NS — CID 115696483

IUPACN-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccsc1CNC1CC=CC1
InChIInChI=1S/C11H15NS/c1-9-6-7-13-11(9)8-12-10-4-2-3-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyDCOZHDMEMFHKDN-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.86
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine

N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696483) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696483
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccsc1CNC1CC=CC1
InChIInChI=1S/C11H15NS/c1-9-6-7-13-11(9)8-12-10-4-2-3-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyDCOZHDMEMFHKDN-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.86
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

2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 78952785
N-[(3-methylthiophen-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922527
1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697955
(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923130
(1R,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923126
3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 71861678
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
2-ethyl-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]butan-1-one
CID 78895211
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 115728439

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine (CID 115696483) is N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine is Cc1ccsc1CNC1CC=CC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is DCOZHDMEMFHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-6-7-13-11(9)8-12-10-4-2-3-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).