(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide

C13H24N4O2 — CID 123468572

IUPAC(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide
SMILESCCCN(C)/C(CC(N)=O)=C(C(=O)NC)/C(C)=N/C
InChIInChI=1S/C13H24N4O2/c1-6-7-17(5)10(8-11(14)18)12(9(2)15-3)13(19)16-4/h6-8H2,1-5H3,(H2,14,18)(H,16,19)/b12-10-,15-9+
InChIKeyAHHMBLLCHYIRBU-JKYVHAMPSA-N
MW268.36 g/mol
LogP0.29
Rot. Bonds7

About (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide

(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide (PubChem CID 123468572) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide.

Molecular Properties

Compound Name(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide
PubChem CID123468572
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide
SMILESCCCN(C)/C(CC(N)=O)=C(C(=O)NC)/C(C)=N/C
InChIInChI=1S/C13H24N4O2/c1-6-7-17(5)10(8-11(14)18)12(9(2)15-3)13(19)16-4/h6-8H2,1-5H3,(H2,14,18)(H,16,19)/b12-10-,15-9+
InChIKeyAHHMBLLCHYIRBU-JKYVHAMPSA-N
XLogP0.29
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium
CID 144517078
4-(aminomethyl)-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62806413
N-methyl-N-propylacetamide;octadecanamide
CID 174331077
2-[methyl(propyl)amino]prop-2-enyl acetate
CID 163468141
1,1,2,3-tetramethyl-3-propylguanidine
CID 54549543
(E)-4-[2-methoxyethyl(methyl)amino]-N-methyl-2-methyliminohex-3-enamide
CID 143749314
2-[amino(methylamino)methylidene]-3-(aminomethylidene)-N-methylpentanediamide
CID 146694523
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
3-amino-3-propyliminopropanamide
CID 126994511
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
[4-amino-2-(2-amino-2-oxoethyl)-4-(methylamino)-3-(methylcarbamoyl)buta-1,3-dienyl]azanium
CID 146694522
acetamide;bis(N-methylmethanamine)
CID 172694142

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide?
The IUPAC name of (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide (CID 123468572) is (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide.
What is the SMILES notation for (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide?
The canonical SMILES for (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide is CCCN(C)/C(CC(N)=O)=C(C(=O)NC)/C(C)=N/C.
What is the InChIKey of (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide?
The InChIKey is AHHMBLLCHYIRBU-JKYVHAMPSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-7-17(5)10(8-11(14)18)12(9(2)15-3)13(19)16-4/h6-8H2,1-5H3,(H2,14,18)(H,16,19)/b12-10-,15-9+.
What are the key properties of (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide?
(Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide has a molecular weight of 268.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(C,N-dimethylcarbonimidoyl)-N-methyl-3-[methyl(propyl)amino]pent-2-enediamide is sourced from PubChem (CID 123468572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).