N-ethylbutanamide;methanimine

C7H16N2O — CID 142280316

IUPACN-ethylbutanamide;methanimine
SMILESCCCC(=O)NCC.[H]N=C
InChIInChI=1S/C6H13NO.CH3N/c1-3-5-6(8)7-4-2;1-2/h3-5H2,1-2H3,(H,7,8);2H,1H2
InChIKeyVFPCBIXKJHMFCT-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.19
Rot. Bonds3

About N-ethylbutanamide;methanimine

N-ethylbutanamide;methanimine (PubChem CID 142280316) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-ethylbutanamide;methanimine.

Molecular Properties

Compound NameN-ethylbutanamide;methanimine
PubChem CID142280316
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-ethylbutanamide;methanimine
SMILESCCCC(=O)NCC.[H]N=C
InChIInChI=1S/C6H13NO.CH3N/c1-3-5-6(8)7-4-2;1-2/h3-5H2,1-2H3,(H,7,8);2H,1H2
InChIKeyVFPCBIXKJHMFCT-UHFFFAOYSA-N
XLogP1.19
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-oxohexanamide
CID 88638325
N,N'-diethylnonanediamide
CID 89048639
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N,N'-diethylpropanediamide
CID 4600245
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-ethyl-4-oxohex-5-enamide
CID 147279818
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-but-3-enylbutanamide
CID 54459050
1-(butanoylamino)-3-ethylthiourea
CID 15917370
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750

Frequently Asked Questions

What is the IUPAC name of N-ethylbutanamide;methanimine?
The IUPAC name of N-ethylbutanamide;methanimine (CID 142280316) is N-ethylbutanamide;methanimine.
What is the SMILES notation for N-ethylbutanamide;methanimine?
The canonical SMILES for N-ethylbutanamide;methanimine is CCCC(=O)NCC.[H]N=C.
What is the InChIKey of N-ethylbutanamide;methanimine?
The InChIKey is VFPCBIXKJHMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH3N/c1-3-5-6(8)7-4-2;1-2/h3-5H2,1-2H3,(H,7,8);2H,1H2.
What are the key properties of N-ethylbutanamide;methanimine?
N-ethylbutanamide;methanimine has a molecular weight of 144.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutanamide;methanimine is sourced from PubChem (CID 142280316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).