2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide

C8H14N2O — CID 118147374

IUPAC2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
SMILESC=NCCCNC(=O)C(=C)C
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)10-6-4-5-9-3/h1,3-6H2,2H3,(H,10,11)
InChIKeyDHPKPOLWYNIXCS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.77
Rot. Bonds5

About 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide

2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide (PubChem CID 118147374) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
PubChem CID118147374
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
SMILESC=NCCCNC(=O)C(=C)C
InChIInChI=1S/C8H14N2O/c1-7(2)8(11)10-6-4-5-9-3/h1,3-6H2,2H3,(H,10,11)
InChIKeyDHPKPOLWYNIXCS-UHFFFAOYSA-N
XLogP0.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-(4-isocyanatobutyl)-2-methylprop-2-enamide
CID 87112156
N-icosyl-2-methylprop-2-enamide
CID 22336363
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 18407922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide (CID 118147374) is 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide is C=NCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide?
The InChIKey is DHPKPOLWYNIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)8(11)10-6-4-5-9-3/h1,3-6H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide?
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide is sourced from PubChem (CID 118147374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).