N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine

C14H19NS — CID 70798009

IUPACN,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
SMILESCc1c(C(C)C)sc2ccc(N(C)C)cc12
InChIInChI=1S/C14H19NS/c1-9(2)14-10(3)12-8-11(15(4)5)6-7-13(12)16-14/h6-9H,1-5H3
InChIKeyOSWUTADQUXVCPT-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.40
Rot. Bonds2

About N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine

N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine (PubChem CID 70798009) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
PubChem CID70798009
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
SMILESCc1c(C(C)C)sc2ccc(N(C)C)cc12
InChIInChI=1S/C14H19NS/c1-9(2)14-10(3)12-8-11(15(4)5)6-7-13(12)16-14/h6-9H,1-5H3
InChIKeyOSWUTADQUXVCPT-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine?
The IUPAC name of N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine (CID 70798009) is N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine.
What is the SMILES notation for N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine?
The canonical SMILES for N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine is Cc1c(C(C)C)sc2ccc(N(C)C)cc12.
What is the InChIKey of N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine?
The InChIKey is OSWUTADQUXVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9(2)14-10(3)12-8-11(15(4)5)6-7-13(12)16-14/h6-9H,1-5H3.
What are the key properties of N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine?
N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine has a molecular weight of 233.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine is sourced from PubChem (CID 70798009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).