N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine

C11H15NS — CID 115696592

IUPACN-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccc(CNC2CC=CC2)s1
InChIInChI=1S/C11H15NS/c1-9-6-7-11(13-9)8-12-10-4-2-3-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyWOVMYZUEZNDYDS-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.86
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine

N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696592) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696592
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
SMILESCc1ccc(CNC2CC=CC2)s1
InChIInChI=1S/C11H15NS/c1-9-6-7-11(13-9)8-12-10-4-2-3-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyWOVMYZUEZNDYDS-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

N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
CID 114817596
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471235
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine (CID 115696592) is N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine is Cc1ccc(CNC2CC=CC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is WOVMYZUEZNDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9-6-7-11(13-9)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-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine?
N-[(5-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-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).