N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H29NS — CID 65091134

IUPACN-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCC1CCCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C18H29NS/c1-2-5-14-6-3-7-15(11-10-14)19-17-8-4-9-18-16(17)12-13-20-18/h12-15,17,19H,2-11H2,1H3
InChIKeyHAPYBYVSQSJRJN-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.46
Rot. Bonds4

About N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 65091134) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID65091134
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCC1CCCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C18H29NS/c1-2-5-14-6-3-7-15(11-10-14)19-17-8-4-9-18-16(17)12-13-20-18/h12-15,17,19H,2-11H2,1H3
InChIKeyHAPYBYVSQSJRJN-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115892167
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62841966
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-dioxan-5-amine
CID 113429660
2-bromo-N-(4-ethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689671
1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 71916232
N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 43081045
1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43435437

Frequently Asked Questions

What is the IUPAC name of N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 65091134) is N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCCC1CCCC(NC2CCCc3sccc32)CC1.
What is the InChIKey of N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is HAPYBYVSQSJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-2-5-14-6-3-7-15(11-10-14)19-17-8-4-9-18-16(17)12-13-20-18/h12-15,17,19H,2-11H2,1H3.
What are the key properties of N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 291.50 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 65091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).