3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine

C14H18N2S — CID 117170816

IUPAC3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
SMILESNc1cccc2scc(CNC3CCCC3)c12
InChIInChI=1S/C14H18N2S/c15-12-6-3-7-13-14(12)10(9-17-13)8-16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5,8,15H2
InChIKeyKSPFVDMHMRQOCL-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.52
Rot. Bonds3

About 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine

3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine (PubChem CID 117170816) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
PubChem CID117170816
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
SMILESNc1cccc2scc(CNC3CCCC3)c12
InChIInChI=1S/C14H18N2S/c15-12-6-3-7-13-14(12)10(9-17-13)8-16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5,8,15H2
InChIKeyKSPFVDMHMRQOCL-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

N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
3-[(cyclobutylamino)methyl]-1H-indol-4-amine
CID 117171132
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117181451
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine
CID 117183191
3-amino-4-[(cyclopentylamino)methyl]phenol
CID 117220836
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine (CID 117170816) is 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine is Nc1cccc2scc(CNC3CCCC3)c12.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine?
The InChIKey is KSPFVDMHMRQOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-12-6-3-7-13-14(12)10(9-17-13)8-16-11-4-1-2-5-11/h3,6-7,9,11,16H,1-2,4-5,8,15H2.
What are the key properties of 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine?
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-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 3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine is sourced from PubChem (CID 117170816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).