(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine

C12H17NS — CID 20603575

IUPAC(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
SMILESCN(C)C/C=C/C/C=C/c1cccs1
InChIInChI=1S/C12H17NS/c1-13(2)10-6-4-3-5-8-12-9-7-11-14-12/h4-9,11H,3,10H2,1-2H3/b6-4+,8-5+
InChIKeyFVEQANWUVLJILY-HLQBBKRNSA-N
MW207.34 g/mol
LogP3.27
Rot. Bonds5

About (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine

(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine (PubChem CID 20603575) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine.

Molecular Properties

Compound Name(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
PubChem CID20603575
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
SMILESCN(C)C/C=C/C/C=C/c1cccs1
InChIInChI=1S/C12H17NS/c1-13(2)10-6-4-3-5-8-12-9-7-11-14-12/h4-9,11H,3,10H2,1-2H3/b6-4+,8-5+
InChIKeyFVEQANWUVLJILY-HLQBBKRNSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
CID 139632410
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
(E)-2-thiophen-2-ylethenol
CID 89297537
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
2-(dimethylamino)-2-phenyl-5-thiophen-2-ylpent-4-enenitrile
CID 54433898
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine?
The IUPAC name of (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine (CID 20603575) is (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine.
What is the SMILES notation for (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine?
The canonical SMILES for (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine is CN(C)C/C=C/C/C=C/c1cccs1.
What is the InChIKey of (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine?
The InChIKey is FVEQANWUVLJILY-HLQBBKRNSA-N. The full InChI is InChI=1S/C12H17NS/c1-13(2)10-6-4-3-5-8-12-9-7-11-14-12/h4-9,11H,3,10H2,1-2H3/b6-4+,8-5+.
What are the key properties of (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine?
(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine is sourced from PubChem (CID 20603575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).