acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide

C12H23N3O — CID 142959973

IUPACacetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
SMILESC#C.CC(=O)NCC/C(N)=C/N(C)C(C)C
InChIInChI=1S/C10H21N3O.C2H2/c1-8(2)13(4)7-10(11)5-6-12-9(3)14;1-2/h7-8H,5-6,11H2,1-4H3,(H,12,14);1-2H/b10-7-;
InChIKeyVGPWNBCKHCCJES-VEZAGKLZSA-N
MW225.34 g/mol
LogP0.90
Rot. Bonds5

About acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide

acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide (PubChem CID 142959973) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide.

Molecular Properties

Compound Nameacetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
PubChem CID142959973
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameacetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
SMILESC#C.CC(=O)NCC/C(N)=C/N(C)C(C)C
InChIInChI=1S/C10H21N3O.C2H2/c1-8(2)13(4)7-10(11)5-6-12-9(3)14;1-2/h7-8H,5-6,11H2,1-4H3,(H,12,14);1-2H/b10-7-;
InChIKeyVGPWNBCKHCCJES-VEZAGKLZSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
N-methyl-N-[3-(prop-1-en-2-ylamino)butyl]acetamide
CID 90245574
N-[3-(dimethylamino)but-3-en-2-yl]acetamide
CID 123435703
N-[3-(ethenylamino)but-3-enyl]-N-propan-2-ylpropanamide
CID 130253197
N-(3-acetamidobut-3-enyl)acetamide
CID 139544160
N-[(Z)-1-aminobut-1-en-2-yl]-N-methylpropanamide
CID 141994034
N-[(Z)-4-amino-3-(dimethylamino)but-3-enyl]-2-cyanoacetamide
CID 142219166
N-[2-(3-ethyl-1,2-dihydroimidazol-5-yl)ethyl]acetamide
CID 142959961
N-[2-(3-methyl-1-propyl-2H-imidazol-4-yl)ethyl]acetamide
CID 142959966
N-[(Z)-3-amino-4-[ethyl(methyl)amino]but-3-enyl]acetamide
CID 142959970
5-[2-(Methylamino)ethyl]-1-propan-2-ylpyrazin-2-one
CID 147412993
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324

Frequently Asked Questions

What is the IUPAC name of acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The IUPAC name of acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide (CID 142959973) is acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide.
What is the SMILES notation for acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The canonical SMILES for acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide is C#C.CC(=O)NCC/C(N)=C/N(C)C(C)C.
What is the InChIKey of acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The InChIKey is VGPWNBCKHCCJES-VEZAGKLZSA-N. The full InChI is InChI=1S/C10H21N3O.C2H2/c1-8(2)13(4)7-10(11)5-6-12-9(3)14;1-2/h7-8H,5-6,11H2,1-4H3,(H,12,14);1-2H/b10-7-;.
What are the key properties of acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide has a molecular weight of 225.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide is sourced from PubChem (CID 142959973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).