N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine

C10H13NS — CID 118474921

IUPACN-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
SMILESC=C(CC(=C)c1cccs1)NC
InChIInChI=1S/C10H13NS/c1-8(7-9(2)11-3)10-5-4-6-12-10/h4-6,11H,1-2,7H2,3H3
InChIKeyLTPMDWHEYFXJCI-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.88
Rot. Bonds4

About N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine

N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine (PubChem CID 118474921) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine.

Molecular Properties

Compound NameN-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
PubChem CID118474921
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
SMILESC=C(CC(=C)c1cccs1)NC
InChIInChI=1S/C10H13NS/c1-8(7-9(2)11-3)10-5-4-6-12-10/h4-6,11H,1-2,7H2,3H3
InChIKeyLTPMDWHEYFXJCI-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;2-(1-thiophen-2-ylethenyl)thiophene
CID 174797517
N-methyl-2-(1-thiophen-2-ylethenylamino)oxyacetamide
CID 90912190
N-methyl-N-prop-2-ynyl-2-thiophen-2-ylprop-2-en-1-amine
CID 118140947
2-(1-ethylsulfanylethenyl)thiophene
CID 142318673
2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene
CID 44556733
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide
CID 89214113
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
2-buta-1,3-dien-2-ylthiophene
CID 58963888
1-(4-methoxyphenyl)-3-thiophen-2-ylbut-3-en-1-ol
CID 11368975
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine?
The IUPAC name of N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine (CID 118474921) is N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine.
What is the SMILES notation for N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine?
The canonical SMILES for N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine is C=C(CC(=C)c1cccs1)NC.
What is the InChIKey of N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine?
The InChIKey is LTPMDWHEYFXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8(7-9(2)11-3)10-5-4-6-12-10/h4-6,11H,1-2,7H2,3H3.
What are the key properties of N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine?
N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine has a molecular weight of 179.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine is sourced from PubChem (CID 118474921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).