(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide

C13H21N3 — CID 134377458

IUPAC(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
SMILESC=C(NC(/C=C\C)=N/C=C(\C)NC)C1CC1
InChIInChI=1S/C13H21N3/c1-5-6-13(15-9-10(2)14-4)16-11(3)12-7-8-12/h5-6,9,12,14H,3,7-8H2,1-2,4H3,(H,15,16)/b6-5-,10-9+
InChIKeyFXZCDXUCOODXNO-MLCWLASSSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds5

About (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide

(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide (PubChem CID 134377458) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
PubChem CID134377458
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide
SMILESC=C(NC(/C=C\C)=N/C=C(\C)NC)C1CC1
InChIInChI=1S/C13H21N3/c1-5-6-13(15-9-10(2)14-4)16-11(3)12-7-8-12/h5-6,9,12,14H,3,7-8H2,1-2,4H3,(H,15,16)/b6-5-,10-9+
InChIKeyFXZCDXUCOODXNO-MLCWLASSSA-N
XLogP2.56
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(1-cyclopropylethenyl)-N'-ethenyl-2-[4-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ylidene]ethanimidamide
CID 129169649
3-methyl-N-(4-methylpent-1-en-2-yl)-2H-pyrrol-5-amine
CID 143316542
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide;ethane
CID 144655472
2-Cyclopropyl-4-methyl-1,4-dihydropyrimidine;ethane
CID 144889370
2-Cyclopropyl-4-propan-2-yl-1,4-dihydropyrimidine
CID 149129602
N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide
CID 176971098
N-[(4E)-5-(ethenylamino)-4-methylpenta-1,4-dien-2-yl]-N'-(2-methylprop-1-enyl)ethanimidamide
CID 141951366
(2Z)-N-(cyclopropylmethyl)-N',3-dimethylpenta-2,4-dienimidamide
CID 144655473
(Z)-4-[[(2Z,5Z)-6-amino-6-cyclopropyl-4-iminohexa-2,5-dien-3-yl]amino]-N'-methylpent-2-enimidamide
CID 167450478

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide (CID 134377458) is (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide is C=C(NC(/C=C\C)=N/C=C(\C)NC)C1CC1.
What is the InChIKey of (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide?
The InChIKey is FXZCDXUCOODXNO-MLCWLASSSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-6-13(15-9-10(2)14-4)16-11(3)12-7-8-12/h5-6,9,12,14H,3,7-8H2,1-2,4H3,(H,15,16)/b6-5-,10-9+.
What are the key properties of (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide?
(Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide has a molecular weight of 219.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-cyclopropylethenyl)-N'-[(E)-2-(methylamino)prop-1-enyl]but-2-enimidamide is sourced from PubChem (CID 134377458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).