(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide

C12H21N3O — CID 123601777

IUPAC(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)NC(C)=C(C)N(C)C
InChIInChI=1S/C12H21N3O/c1-7-8-11(13-4)12(16)14-9(2)10(3)15(5)6/h7-8H,1-6H3,(H,14,16)/b8-7-,10-9?,13-11+
InChIKeyMLKLOQNIGUIBKZ-CPCIKAEYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds4

About (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide

(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide (PubChem CID 123601777) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
PubChem CID123601777
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
SMILESC/C=C\C(=N/C)C(=O)NC(C)=C(C)N(C)C
InChIInChI=1S/C12H21N3O/c1-7-8-11(13-4)12(16)14-9(2)10(3)15(5)6/h7-8H,1-6H3,(H,14,16)/b8-7-,10-9?,13-11+
InChIKeyMLKLOQNIGUIBKZ-CPCIKAEYSA-N
XLogP1.56
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
CID 118972787
(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
CID 121329897
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330197
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203
(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330313
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
CID 121330327
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
6-[(Z)-2-aminoprop-1-enyl]-4-methyl-2,3-dihydropyrazin-5-one;methane
CID 154669815
(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide
CID 163896032

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide?
The IUPAC name of (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide (CID 123601777) is (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide.
What is the SMILES notation for (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide?
The canonical SMILES for (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide is C/C=C\C(=N/C)C(=O)NC(C)=C(C)N(C)C.
What is the InChIKey of (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide?
The InChIKey is MLKLOQNIGUIBKZ-CPCIKAEYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-7-8-11(13-4)12(16)14-9(2)10(3)15(5)6/h7-8H,1-6H3,(H,14,16)/b8-7-,10-9?,13-11+.
What are the key properties of (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide?
(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide has a molecular weight of 223.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide is sourced from PubChem (CID 123601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).