but-1-en-2-amine;N-methylpropanamide

C8H18N2O — CID 143544208

IUPACbut-1-en-2-amine;N-methylpropanamide
SMILESC=C(N)CC.CCC(=O)NC
InChIInChI=1S/C4H9NO.C4H9N/c1-3-4(6)5-2;1-3-4(2)5/h3H2,1-2H3,(H,5,6);2-3,5H2,1H3
InChIKeyLLORRIMLAYCALK-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.01
Rot. Bonds2

About but-1-en-2-amine;N-methylpropanamide

but-1-en-2-amine;N-methylpropanamide (PubChem CID 143544208) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is but-1-en-2-amine;N-methylpropanamide.

Molecular Properties

Compound Namebut-1-en-2-amine;N-methylpropanamide
PubChem CID143544208
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Namebut-1-en-2-amine;N-methylpropanamide
SMILESC=C(N)CC.CCC(=O)NC
InChIInChI=1S/C4H9NO.C4H9N/c1-3-4(6)5-2;1-3-4(2)5/h3H2,1-2H3,(H,5,6);2-3,5H2,1H3
InChIKeyLLORRIMLAYCALK-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-3-(methylamino)but-3-enamide
CID 143134494
N-[4-(prop-1-en-2-ylamino)butyl]acetamide
CID 88972536
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-methylpent-3-enamide
CID 89224066
N-[[[(but-1-en-2-ylamino)methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]propanamide
CID 91250387
(E)-4-amino-3-(methylamino)but-3-enamide
CID 118973901
N-(4-aminopent-4-enyl)propanamide
CID 126589543
N-(3-aminobut-3-enyl)propanamide
CID 137412908
4-amino-N-propylpent-4-enamide
CID 138463732
N-(3-acetamidobut-3-enyl)acetamide
CID 139544160
N-[(Z)-1-aminobut-1-en-2-yl]-N-methylpropanamide
CID 141994034
N-methylacetamide;N-methylprop-1-en-2-amine
CID 142049916
3-[4-[Butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
CID 142174077

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-amine;N-methylpropanamide?
The IUPAC name of but-1-en-2-amine;N-methylpropanamide (CID 143544208) is but-1-en-2-amine;N-methylpropanamide.
What is the SMILES notation for but-1-en-2-amine;N-methylpropanamide?
The canonical SMILES for but-1-en-2-amine;N-methylpropanamide is C=C(N)CC.CCC(=O)NC.
What is the InChIKey of but-1-en-2-amine;N-methylpropanamide?
The InChIKey is LLORRIMLAYCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H9N/c1-3-4(6)5-2;1-3-4(2)5/h3H2,1-2H3,(H,5,6);2-3,5H2,1H3.
What are the key properties of but-1-en-2-amine;N-methylpropanamide?
but-1-en-2-amine;N-methylpropanamide has a molecular weight of 158.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-amine;N-methylpropanamide is sourced from PubChem (CID 143544208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).