N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine

C15H17NS — CID 43687653

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
SMILESC1=CCC(CNc2ccc3sccc3c2)CC1
InChIInChI=1S/C15H17NS/c1-2-4-12(5-3-1)11-16-14-6-7-15-13(10-14)8-9-17-15/h1-2,6-10,12,16H,3-5,11H2
InChIKeyNZDMEPGBDRROSM-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.67
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine

N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine (PubChem CID 43687653) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
PubChem CID43687653
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
SMILESC1=CCC(CNc2ccc3sccc3c2)CC1
InChIInChI=1S/C15H17NS/c1-2-4-12(5-3-1)11-16-14-6-7-15-13(10-14)8-9-17-15/h1-2,6-10,12,16H,3-5,11H2
InChIKeyNZDMEPGBDRROSM-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.67
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-(cyclobutylmethyl)-1-benzothiophen-5-amine
CID 65457353
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
4-bromo-N-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)aniline
CID 43680365
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 43746332
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
3-(cyclohex-3-en-1-ylmethylamino)benzonitrile
CID 43201265
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine (CID 43687653) is N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine is C1=CCC(CNc2ccc3sccc3c2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine?
The InChIKey is NZDMEPGBDRROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-4-12(5-3-1)11-16-14-6-7-15-13(10-14)8-9-17-15/h1-2,6-10,12,16H,3-5,11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine has a molecular weight of 243.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).