3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane

C14H31N3O — CID 142174077

IUPAC3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
SMILESC=C(CCN(C)CCCC)NCCC(N)=O.CC
InChIInChI=1S/C12H25N3O.C2H6/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16;1-2/h14H,2,4-10H2,1,3H3,(H2,13,16);1-2H3
InChIKeyGVANBWLFEMZDHZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.11
Rot. Bonds10

About 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane

3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane (PubChem CID 142174077) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane.

Molecular Properties

Compound Name3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
PubChem CID142174077
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
SMILESC=C(CCN(C)CCCC)NCCC(N)=O.CC
InChIInChI=1S/C12H25N3O.C2H6/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16;1-2/h14H,2,4-10H2,1,3H3,(H2,13,16);1-2H3
InChIKeyGVANBWLFEMZDHZ-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
CID 88911258
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
(Z)-3-[[(E)-but-2-en-2-yl]amino]-N-propylpent-3-enamide
CID 89224177
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
CID 90245574
(E)-4-amino-3-(methylamino)but-3-enamide
CID 118973901
N-(4-aminopent-4-enyl)propanamide
CID 126589543
N-(2-methylbutan-2-yl)-3-[methyl-[3-(2-methylbutan-2-ylamino)but-3-enyl]amino]propanamide
CID 126701035
N-tert-butyl-3-[3-(tert-butylamino)but-3-enyl-methylamino]propanamide
CID 126701045
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-(3-aminobut-3-enyl)propanamide
CID 137412908
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
but-1-en-2-amine;N-methylpropanamide
CID 143544208

Frequently Asked Questions

What is the IUPAC name of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane?
The IUPAC name of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane (CID 142174077) is 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane.
What is the SMILES notation for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane?
The canonical SMILES for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane is C=C(CCN(C)CCCC)NCCC(N)=O.CC.
What is the InChIKey of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane?
The InChIKey is GVANBWLFEMZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.C2H6/c1-4-5-9-15(3)10-7-11(2)14-8-6-12(13)16;1-2/h14H,2,4-10H2,1,3H3,(H2,13,16);1-2H3.
What are the key properties of 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane?
3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane has a molecular weight of 257.42 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane is sourced from PubChem (CID 142174077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).