N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C19H29NS — CID 79215728

IUPACN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CC2CSc3ccccc32)CCCC1
InChIInChI=1S/C19H29NS/c1-15(2)12-20-14-19(9-5-6-10-19)11-16-13-21-18-8-4-3-7-17(16)18/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3
InChIKeyPRMQJWQGLOUPHX-UHFFFAOYSA-N
MW303.52 g/mol
LogP5.07
Rot. Bonds6

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

N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 79215728) 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)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID79215728
Molecular FormulaC19H29NS
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC NameN-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CC2CSc3ccccc32)CCCC1
InChIInChI=1S/C19H29NS/c1-15(2)12-20-14-19(9-5-6-10-19)11-16-13-21-18-8-4-3-7-17(16)18/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3
InChIKeyPRMQJWQGLOUPHX-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 79215623
4-(2,3-dihydro-1-benzothiophen-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81016520
3-(2,3-dihydro-1-benzothiophen-3-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79220840
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)propan-2-amine
CID 79212606
N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798004
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylcyclopentan-1-amine
CID 79220613
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79215045
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-phenylpropan-1-amine
CID 104591357
4-(bromomethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxane
CID 79226239
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 79215728) is N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CC2CSc3ccccc32)CCCC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PRMQJWQGLOUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-15(2)12-20-14-19(9-5-6-10-19)11-16-13-21-18-8-4-3-7-17(16)18/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.52 g/mol, XLogP of 5.07, 6 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)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79215728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).