N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide

C10H17N3O — CID 123142341

IUPACN-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
SMILESC=NC(=C/N=C/C)CNC(=O)CCC
InChIInChI=1S/C10H17N3O/c1-4-6-10(14)13-8-9(11-3)7-12-5-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14)/b9-7?,12-5+
InChIKeySBSFITKWELEGFC-QQCRAMPNSA-N
MW195.27 g/mol
LogP1.54
Rot. Bonds6

About N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide

N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide (PubChem CID 123142341) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide.

Molecular Properties

Compound NameN-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
PubChem CID123142341
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
SMILESC=NC(=C/N=C/C)CNC(=O)CCC
InChIInChI=1S/C10H17N3O/c1-4-6-10(14)13-8-9(11-3)7-12-5-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14)/b9-7?,12-5+
InChIKeySBSFITKWELEGFC-QQCRAMPNSA-N
XLogP1.54
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.54
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

N-methyl-N-[2-(methylamino)prop-2-enyl]butanamide
CID 90398268
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
CID 129060121
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
CID 129060184
3,6-Dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
CID 143038659
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]butanamide;molecular hydrogen
CID 144540766
N-(2-aminoethyl)-3-(prop-1-en-2-yliminomethyl)but-3-enamide;ethane;molecular hydrogen
CID 145197652
2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
CID 145197681
ethane;N-[(Z)-2-(ethylideneamino)but-2-enyl]-2-oxobutanamide
CID 163373470
4-amino-N-[(1E)-1,3-diamino-1-(ethylideneamino)buta-1,3-dien-2-yl]butanamide
CID 173513734

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide?
The IUPAC name of N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide (CID 123142341) is N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide.
What is the SMILES notation for N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide?
The canonical SMILES for N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide is C=NC(=C/N=C/C)CNC(=O)CCC.
What is the InChIKey of N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide?
The InChIKey is SBSFITKWELEGFC-QQCRAMPNSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-6-10(14)13-8-9(11-3)7-12-5-2/h5,7H,3-4,6,8H2,1-2H3,(H,13,14)/b9-7?,12-5+.
What are the key properties of N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide?
N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide has a molecular weight of 195.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide is sourced from PubChem (CID 123142341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).