2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide

C12H20N2O — CID 163258986

IUPAC2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
SMILESC=C/C(=C\N=C)C(CC)NC(=O)C(C)C
InChIInChI=1S/C12H20N2O/c1-6-10(8-13-5)11(7-2)14-12(15)9(3)4/h6,8-9,11H,1,5,7H2,2-4H3,(H,14,15)/b10-8+
InChIKeyUBMFBVMFXQTFQC-CSKARUKUSA-N
MW208.30 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide

2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide (PubChem CID 163258986) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
PubChem CID163258986
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide
SMILESC=C/C(=C\N=C)C(CC)NC(=O)C(C)C
InChIInChI=1S/C12H20N2O/c1-6-10(8-13-5)11(7-2)14-12(15)9(3)4/h6,8-9,11H,1,5,7H2,2-4H3,(H,14,15)/b10-8+
InChIKeyUBMFBVMFXQTFQC-CSKARUKUSA-N
XLogP2.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(methylideneamino)methylidene]-3-(2-methylpropyl)hex-5-enoic acid
CID 165405457
(4E)-3-tert-butyl-4-[(methylideneamino)methylidene]hex-5-enoic acid
CID 165404947
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
1-[[(E)-3-ethenyl-4-methylhex-2-enylidene]amino]propan-2-one
CID 143480873
4-methylhex-1-en-3-one
CID 15724302
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]butanoic acid
CID 115731084
ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
N-[(4E,6E,8E)-4-ethenyl-9-ethylsulfanyl-1-fluoro-3-hydroxy-7,8-dimethylnona-4,6,8-trien-2-yl]-2-fluoropropanamide
CID 142806566
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
ethene;(E)-4-ethenyl-3-methylhex-4-enoic acid
CID 165405192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide (CID 163258986) is 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide is C=C/C(=C\N=C)C(CC)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide?
The InChIKey is UBMFBVMFXQTFQC-CSKARUKUSA-N. The full InChI is InChI=1S/C12H20N2O/c1-6-10(8-13-5)11(7-2)14-12(15)9(3)4/h6,8-9,11H,1,5,7H2,2-4H3,(H,14,15)/b10-8+.
What are the key properties of 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide?
2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide has a molecular weight of 208.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4E)-4-[(methylideneamino)methylidene]hex-5-en-3-yl]propanamide is sourced from PubChem (CID 163258986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).