N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

C14H21NS — CID 115895883

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCCC1=CCCC1
InChIInChI=1S/C14H21NS/c1-12(10-14-7-9-16-11-14)15-8-6-13-4-2-3-5-13/h4,7,9,11-12,15H,2-3,5-6,8,10H2,1H3
InChIKeyNBOKKUZWRSYQEL-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 115895883) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID115895883
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCCC1=CCCC1
InChIInChI=1S/C14H21NS/c1-12(10-14-7-9-16-11-14)15-8-6-13-4-2-3-5-13/h4,7,9,11-12,15H,2-3,5-6,8,10H2,1H3
InChIKeyNBOKKUZWRSYQEL-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.77
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-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 115895883) is N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is NBOKKUZWRSYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12(10-14-7-9-16-11-14)15-8-6-13-4-2-3-5-13/h4,7,9,11-12,15H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 115895883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).