N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine

C11H17NS — CID 137383112

IUPACN,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine
SMILESC=C(CCC)c1c(C)csc1NC
InChIInChI=1S/C11H17NS/c1-5-6-8(2)10-9(3)7-13-11(10)12-4/h7,12H,2,5-6H2,1,3-4H3
InChIKeyQFXAGYDJJCGALT-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.91
Rot. Bonds4

About N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine

N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine (PubChem CID 137383112) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine
PubChem CID137383112
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine
SMILESC=C(CCC)c1c(C)csc1NC
InChIInChI=1S/C11H17NS/c1-5-6-8(2)10-9(3)7-13-11(10)12-4/h7,12H,2,5-6H2,1,3-4H3
InChIKeyQFXAGYDJJCGALT-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine?
The IUPAC name of N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine (CID 137383112) is N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine.
What is the SMILES notation for N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine?
The canonical SMILES for N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine is C=C(CCC)c1c(C)csc1NC.
What is the InChIKey of N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine?
The InChIKey is QFXAGYDJJCGALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-6-8(2)10-9(3)7-13-11(10)12-4/h7,12H,2,5-6H2,1,3-4H3.
What are the key properties of N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine?
N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine is sourced from PubChem (CID 137383112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).