N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide

C13H25N3O — CID 134406062

IUPACN-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide
SMILESCN/C(C)=C\C=C(/C)N(CCN(C)C)C(C)=O
InChIInChI=1S/C13H25N3O/c1-11(14-4)7-8-12(2)16(13(3)17)10-9-15(5)6/h7-8,14H,9-10H2,1-6H3/b11-7-,12-8+
InChIKeyQKXBONMQUJECOH-NTLHZVPKSA-N
MW239.36 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide

N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide (PubChem CID 134406062) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide
PubChem CID134406062
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide
SMILESCN/C(C)=C\C=C(/C)N(CCN(C)C)C(C)=O
InChIInChI=1S/C13H25N3O/c1-11(14-4)7-8-12(2)16(13(3)17)10-9-15(5)6/h7-8,14H,9-10H2,1-6H3/b11-7-,12-8+
InChIKeyQKXBONMQUJECOH-NTLHZVPKSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide (CID 134406062) is N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide is CN/C(C)=C\C=C(/C)N(CCN(C)C)C(C)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide?
The InChIKey is QKXBONMQUJECOH-NTLHZVPKSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(14-4)7-8-12(2)16(13(3)17)10-9-15(5)6/h7-8,14H,9-10H2,1-6H3/b11-7-,12-8+.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2E,4Z)-5-(methylamino)hexa-2,4-dien-2-yl]acetamide is sourced from PubChem (CID 134406062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).