2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine

C14H18N2S — CID 117183191

IUPAC2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine
SMILESNc1cccc2cc(CNC3CCCC3)sc12
InChIInChI=1S/C14H18N2S/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16H,1-2,5-6,9,15H2
InChIKeyDJKATYSURUAHQC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.52
Rot. Bonds3

About 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine

2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine (PubChem CID 117183191) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine
PubChem CID117183191
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine
SMILESNc1cccc2cc(CNC3CCCC3)sc12
InChIInChI=1S/C14H18N2S/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16H,1-2,5-6,9,15H2
InChIKeyDJKATYSURUAHQC-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296
2-[(cyclobutylamino)methyl]-1H-indol-7-amine
CID 117183481
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
CID 117179726
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
CID 117182713
N-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
CID 43222651
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine?
The IUPAC name of 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine (CID 117183191) is 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine is Nc1cccc2cc(CNC3CCCC3)sc12.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine?
The InChIKey is DJKATYSURUAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-13-7-3-4-10-8-12(17-14(10)13)9-16-11-5-1-2-6-11/h3-4,7-8,11,16H,1-2,5-6,9,15H2.
What are the key properties of 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine?
2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine has a molecular weight of 246.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine is sourced from PubChem (CID 117183191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).