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

C12H17NS — CID 115728439

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
SMILESCc1ccsc1C(C)NC1CC=CC1
InChIInChI=1S/C12H17NS/c1-9-7-8-14-12(9)10(2)13-11-5-3-4-6-11/h3-4,7-8,10-11,13H,5-6H2,1-2H3
InChIKeyVORRQQJVXAHICD-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.43
Rot. Bonds3

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

N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine (PubChem CID 115728439) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
PubChem CID115728439
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine
SMILESCc1ccsc1C(C)NC1CC=CC1
InChIInChI=1S/C12H17NS/c1-9-7-8-14-12(9)10(2)13-11-5-3-4-6-11/h3-4,7-8,10-11,13H,5-6H2,1-2H3
InChIKeyVORRQQJVXAHICD-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.43
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-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476
N-[1-(3-methylthiophen-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298610
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
1,7,7-trimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 63990852
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
2,5-dimethyl-N-[1-(3-methylthiophen-2-yl)ethyl]pyrrol-1-amine
CID 79100998
N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63992432
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine (CID 115728439) is N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine is Cc1ccsc1C(C)NC1CC=CC1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine?
The InChIKey is VORRQQJVXAHICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-7-8-14-12(9)10(2)13-11-5-3-4-6-11/h3-4,7-8,10-11,13H,5-6H2,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115728439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).