N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

C19H29NS — CID 79215623

IUPACN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CSc3ccccc32)CCCCC1
InChIInChI=1S/C19H29NS/c1-15(2)20-14-19(10-6-3-7-11-19)12-16-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,15-16,20H,3,6-7,10-14H2,1-2H3
InChIKeyLOQVYRGJGHUDFT-UHFFFAOYSA-N
MW303.52 g/mol
LogP5.21
Rot. Bonds5

About N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 79215623) has the molecular formula C19H29NS and a molecular weight of 303.52 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID79215623
Molecular FormulaC19H29NS
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC NameN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CSc3ccccc32)CCCCC1
InChIInChI=1S/C19H29NS/c1-15(2)20-14-19(10-6-3-7-11-19)12-16-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,15-16,20H,3,6-7,10-14H2,1-2H3
InChIKeyLOQVYRGJGHUDFT-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 79215623) is N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CC2CSc3ccccc32)CCCCC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is LOQVYRGJGHUDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-15(2)20-14-19(10-6-3-7-11-19)12-16-13-21-18-9-5-4-8-17(16)18/h4-5,8-9,15-16,20H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 303.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 79215623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).