1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine

C16H23NS — CID 63889811

IUPAC1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1csc2ccccc12)CC(C)(C)C
InChIInChI=1S/C16H23NS/c1-16(2,3)10-13(17-4)9-12-11-18-15-8-6-5-7-14(12)15/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyPWVOQYCAVANORT-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine

1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine (PubChem CID 63889811) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
PubChem CID63889811
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1csc2ccccc12)CC(C)(C)C
InChIInChI=1S/C16H23NS/c1-16(2,3)10-13(17-4)9-12-11-18-15-8-6-5-7-14(12)15/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyPWVOQYCAVANORT-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.47
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)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197341
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923329

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine (CID 63889811) is 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine is CNC(Cc1csc2ccccc12)CC(C)(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is PWVOQYCAVANORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-16(2,3)10-13(17-4)9-12-11-18-15-8-6-5-7-14(12)15/h5-8,11,13,17H,9-10H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine?
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 4.47, 4 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,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 63889811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).