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

C10H21N3O — CID 142959974

IUPACN-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
SMILESCC(=O)NCC/C(N)=C/N(C)C(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)13(4)7-10(11)5-6-12-9(3)14/h7-8H,5-6,11H2,1-4H3,(H,12,14)/b10-7-
InChIKeyBRIDFBHXHRINHX-YFHOEESVSA-N
MW199.30 g/mol
LogP0.65
Rot. Bonds5

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

N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide (PubChem CID 142959974) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
PubChem CID142959974
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
SMILESCC(=O)NCC/C(N)=C/N(C)C(C)C
InChIInChI=1S/C10H21N3O/c1-8(2)13(4)7-10(11)5-6-12-9(3)14/h7-8H,5-6,11H2,1-4H3,(H,12,14)/b10-7-
InChIKeyBRIDFBHXHRINHX-YFHOEESVSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The IUPAC name of N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide (CID 142959974) is N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide is CC(=O)NCC/C(N)=C/N(C)C(C)C.
What is the InChIKey of N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
The InChIKey is BRIDFBHXHRINHX-YFHOEESVSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)13(4)7-10(11)5-6-12-9(3)14/h7-8H,5-6,11H2,1-4H3,(H,12,14)/b10-7-.
What are the key properties of N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide?
N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide is sourced from PubChem (CID 142959974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).