1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine

C17H25NS — CID 79412102

IUPAC1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1csc2ccccc12)NC(C)C
InChIInChI=1S/C17H25NS/c1-4-5-8-15(18-13(2)3)11-14-12-19-17-10-7-6-9-16(14)17/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3
InChIKeyIGVBNQFTUJCYFR-UHFFFAOYSA-N
MW275.46 g/mol
LogP5.00
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine

1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine (PubChem CID 79412102) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
PubChem CID79412102
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1csc2ccccc12)NC(C)C
InChIInChI=1S/C17H25NS/c1-4-5-8-15(18-13(2)3)11-14-12-19-17-10-7-6-9-16(14)17/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3
InChIKeyIGVBNQFTUJCYFR-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine (CID 79412102) is 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1csc2ccccc12)NC(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine?
The InChIKey is IGVBNQFTUJCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-4-5-8-15(18-13(2)3)11-14-12-19-17-10-7-6-9-16(14)17/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine?
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine has a molecular weight of 275.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79412102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).