N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine

C18H27NS — CID 79221621

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2CSc3ccccc32)CC1
InChIInChI=1S/C18H27NS/c1-2-5-14-8-10-16(11-9-14)19-12-15-13-20-18-7-4-3-6-17(15)18/h3-4,6-7,14-16,19H,2,5,8-13H2,1H3
InChIKeyKEJCOPCJKQDDPA-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.82
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 79221621) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID79221621
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2CSc3ccccc32)CC1
InChIInChI=1S/C18H27NS/c1-2-5-14-8-10-16(11-9-14)19-12-15-13-20-18-7-4-3-6-17(15)18/h3-4,6-7,14-16,19H,2,5,8-13H2,1H3
InChIKeyKEJCOPCJKQDDPA-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
CID 79220706
N-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83139831
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 79221279
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515366
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-propylaniline
CID 79220693
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine (CID 79221621) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC2CSc3ccccc32)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is KEJCOPCJKQDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-5-14-8-10-16(11-9-14)19-12-15-13-20-18-7-4-3-6-17(15)18/h3-4,6-7,14-16,19H,2,5,8-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 79221621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).