1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine

C18H23NS — CID 10424083

IUPAC1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine
SMILESc1ccc2sc(C3(NCC4CC4)CCCCC3)cc2c1
InChIInChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-13-14-8-9-14)17-12-15-6-2-3-7-16(15)20-17/h2-3,6-7,12,14,19H,1,4-5,8-11,13H2
InChIKeyQQXJAODHKUTUKQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine

1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine (PubChem CID 10424083) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine
PubChem CID10424083
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine
SMILESc1ccc2sc(C3(NCC4CC4)CCCCC3)cc2c1
InChIInChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-13-14-8-9-14)17-12-15-6-2-3-7-16(15)20-17/h2-3,6-7,12,14,19H,1,4-5,8-11,13H2
InChIKeyQQXJAODHKUTUKQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
CID 10266083
[1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidin-3-yl]methyl acetate
CID 10429320
1-[(1S,3S)-1-(1-benzothiophen-2-yl)-3-methylcyclohexyl]piperidine
CID 10245081
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
CID 10105986
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-(2-chloroethyl)piperazine
CID 10618690
1-[4-(1-benzothiophen-2-yl)thian-4-yl]piperidine
CID 10805468
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
CID 174424809
1-[1-(1-benzothiophen-2-yl)cyclohexyl]imidazolidin-2-one
CID 10424894
2-[chloro(cyclohexyl)methyl]-1-benzothiophene
CID 66778612
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine (CID 10424083) is 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine is c1ccc2sc(C3(NCC4CC4)CCCCC3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine?
The InChIKey is QQXJAODHKUTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-13-14-8-9-14)17-12-15-6-2-3-7-16(15)20-17/h2-3,6-7,12,14,19H,1,4-5,8-11,13H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine?
1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 10424083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).