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

C16H23NS — CID 63833767

IUPAC1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)c1csc2ccccc12)C(C)(C)C
InChIInChI=1S/C16H23NS/c1-11(16(2,3)4)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyHCDLTSONBSNVPT-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.97
Rot. Bonds3

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

1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine (PubChem CID 63833767) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
PubChem CID63833767
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
SMILESCC(CC(N)c1csc2ccccc12)C(C)(C)C
InChIInChI=1S/C16H23NS/c1-11(16(2,3)4)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyHCDLTSONBSNVPT-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
ethyl 5-amino-5-(1-benzothiophen-3-yl)-3-methylpentanoate
CID 62942009
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine (CID 63833767) is 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine is CC(CC(N)c1csc2ccccc12)C(C)(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is HCDLTSONBSNVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-11(16(2,3)4)9-14(17)13-10-18-15-8-6-5-7-12(13)15/h5-8,10-11,14H,9,17H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine?
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.97, 3 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)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 63833767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).