N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C18H27NS — CID 146284479

IUPACN-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESC=C(CCC)c1c(NC(C)C2CC2)sc2c1CCCC2
InChIInChI=1S/C18H27NS/c1-4-7-12(2)17-15-8-5-6-9-16(15)20-18(17)19-13(3)14-10-11-14/h13-14,19H,2,4-11H2,1,3H3
InChIKeyBLTMCMHOVKEKBQ-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.65
Rot. Bonds6

About N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 146284479) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID146284479
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESC=C(CCC)c1c(NC(C)C2CC2)sc2c1CCCC2
InChIInChI=1S/C18H27NS/c1-4-7-12(2)17-15-8-5-6-9-16(15)20-18(17)19-13(3)14-10-11-14/h13-14,19H,2,4-11H2,1,3H3
InChIKeyBLTMCMHOVKEKBQ-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-cyclopropylethenyl)-3-(1-ethoxyethenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 146284515
2-(butanoylamino)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474783
propan-2-yl 2-(pentanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 5107515
methyl 2-[[2-[cyclopropyl(1-cyclopropylethyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46602387
propan-2-yl 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1225659
3-ethenyl-N-(3-methylpent-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 146284458
propan-2-yl 2-[[6-oxo-6-[(3-propan-2-yloxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]hexanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4160751
ethyl 2-[2-(propylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 10404881
N-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 146284176
ethyl 2-[[(2-fluoro-2-methylcyclopropyl)-hydroxymethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146284440
2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 759988
propan-2-yl 2-[[2-(4-oxopentanoyloxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 8613425

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 146284479) is N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C=C(CCC)c1c(NC(C)C2CC2)sc2c1CCCC2.
What is the InChIKey of N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is BLTMCMHOVKEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-4-7-12(2)17-15-8-5-6-9-16(15)20-18(17)19-13(3)14-10-11-14/h13-14,19H,2,4-11H2,1,3H3.
What are the key properties of N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 289.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-pent-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 146284479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).