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

C11H21N3O — CID 134406748

IUPACN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)/C(C)=C/C=C(/C)N
InChIInChI=1S/C11H21N3O/c1-9(12)5-6-10(2)14(11(3)15)8-7-13-4/h5-6,13H,7-8,12H2,1-4H3/b9-5-,10-6+
InChIKeyXMOPABHAEBTTIL-VTBWALSUSA-N
MW211.31 g/mol
LogP0.82
Rot. Bonds5

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

N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide (PubChem CID 134406748) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
PubChem CID134406748
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)/C(C)=C/C=C(/C)N
InChIInChI=1S/C11H21N3O/c1-9(12)5-6-10(2)14(11(3)15)8-7-13-4/h5-6,13H,7-8,12H2,1-4H3/b9-5-,10-6+
InChIKeyXMOPABHAEBTTIL-VTBWALSUSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-N'-methyl-1-N'-[2-(methylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406241
(1E,3Z)-1-N'-methyl-1-N'-[3-(methylamino)propyl]penta-1,3-diene-1,1,4-triamine
CID 134406198
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)acetamide
CID 118974935
N-[2-(diacetylamino)ethyl]acetamide
CID 536138
N'-[(2E,4E)-5-bromohexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine;ethane
CID 145385176
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
CID 129061385
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
tert-butyl-[2-(methylamino)ethyl]carbamic acid;hydrochloride
CID 71651161
N',N'-diamino-N-methylethane-1,2-diamine
CID 20647754
methyl-[2-(methylamino)ethyl]carbamothioic S-acid
CID 55299053

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide (CID 134406748) is N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide is CNCCN(C(C)=O)/C(C)=C/C=C(/C)N.
What is the InChIKey of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is XMOPABHAEBTTIL-VTBWALSUSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12)5-6-10(2)14(11(3)15)8-7-13-4/h5-6,13H,7-8,12H2,1-4H3/b9-5-,10-6+.
What are the key properties of N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide?
N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 211.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-aminohexa-2,4-dien-2-yl]-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 134406748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).