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

C18H29NS — CID 63476354

IUPACN-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(C)(C)C1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C18H29NS/c1-18(2,3)13-7-9-14(10-8-13)19-16-5-4-6-17-15(16)11-12-20-17/h11-14,16,19H,4-10H2,1-3H3
InChIKeyKDRTYNZQEPWZDZ-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.32
Rot. Bonds2

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

N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 63476354) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID63476354
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(C)(C)C1CCC(NC2CCCc3sccc32)CC1
InChIInChI=1S/C18H29NS/c1-18(2,3)13-7-9-14(10-8-13)19-16-5-4-6-17-15(16)11-12-20-17/h11-14,16,19H,4-10H2,1-3H3
InChIKeyKDRTYNZQEPWZDZ-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

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Related Compounds

N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65091134
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
4-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 23542138
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62841966
1-[2-(dimethylamino)ethyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 71916232
1-cyclopropyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 115727494
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783841
N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842173
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)piperidin-1-yl]acetamide
CID 62842664
N-[(1R)-1-cyclopentylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81393881

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 63476354) is N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC(C)(C)C1CCC(NC2CCCc3sccc32)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is KDRTYNZQEPWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-18(2,3)13-7-9-14(10-8-13)19-16-5-4-6-17-15(16)11-12-20-17/h11-14,16,19H,4-10H2,1-3H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 291.50 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 63476354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).