(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide

C11H21N3O — CID 90245678

IUPAC(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\CC(=O)NCCCN(C)CC
InChIInChI=1S/C11H21N3O/c1-4-14(3)10-6-9-13-11(15)7-5-8-12-2/h5,8H,2,4,6-7,9-10H2,1,3H3,(H,13,15)/b8-5-
InChIKeyRVFKLSMJHFHPLZ-YVMONPNESA-N
MW211.31 g/mol
LogP1.05
Rot. Bonds8

About (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide

(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide (PubChem CID 90245678) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide
PubChem CID90245678
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\CC(=O)NCCCN(C)CC
InChIInChI=1S/C11H21N3O/c1-4-14(3)10-6-9-13-11(15)7-5-8-12-2/h5,8H,2,4,6-7,9-10H2,1,3H3,(H,13,15)/b8-5-
InChIKeyRVFKLSMJHFHPLZ-YVMONPNESA-N
XLogP1.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-5-[[(Z)-prop-1-enyl]amino]pent-4-en-2-yl]propanamide
CID 89256545
(Z)-N-methyl-4-(methylideneamino)but-3-enamide
CID 90245697
(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide
CID 90245910
(Z)-4-[3-(dimethylamino)propyliminomethylamino]-N-[3-[ethyl(methyl)amino]propyl]but-3-enamide
CID 90245962
(Z)-N-[3-[ethyl(methyl)amino]propyl]-2-methyl-4-(methylideneamino)but-3-enamide
CID 90246005
(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]-N-methylbut-3-enamide
CID 118616676
(Z)-4-[3-[acetyl(methyl)amino]propyliminomethylamino]but-3-enamide
CID 118617256
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]propanamide
CID 142817717
ethane;N-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]propanamide
CID 142885602
N-[3-(4,5-dihydroazepin-1-yl)propyl]propanamide
CID 142885650

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide?
The IUPAC name of (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide (CID 90245678) is (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide.
What is the SMILES notation for (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide?
The canonical SMILES for (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide is C=N/C=C\CC(=O)NCCCN(C)CC.
What is the InChIKey of (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide?
The InChIKey is RVFKLSMJHFHPLZ-YVMONPNESA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-14(3)10-6-9-13-11(15)7-5-8-12-2/h5,8H,2,4,6-7,9-10H2,1,3H3,(H,13,15)/b8-5-.
What are the key properties of (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide?
(Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide has a molecular weight of 211.31 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[ethyl(methyl)amino]propyl]-4-(methylideneamino)but-3-enamide is sourced from PubChem (CID 90245678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).