N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide

C6H14N4O — CID 156793839

IUPACN-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/N(C)N
InChIInChI=1S/C6H14N4O/c1-5(11)9-3-6(7)4-10(2)8/h4H,3,7-8H2,1-2H3,(H,9,11)/b6-4-
InChIKeyLSGVFRWQAXYNFU-XQRVVYSFSA-N
MW158.20 g/mol
LogP-1.27
Rot. Bonds3

About N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide

N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide (PubChem CID 156793839) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide
PubChem CID156793839
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC NameN-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/N(C)N
InChIInChI=1S/C6H14N4O/c1-5(11)9-3-6(7)4-10(2)8/h4H,3,7-8H2,1-2H3,(H,9,11)/b6-4-
InChIKeyLSGVFRWQAXYNFU-XQRVVYSFSA-N
XLogP-1.27
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide (CID 156793839) is N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide is CC(=O)NC/C(N)=C/N(C)N.
What is the InChIKey of N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide?
The InChIKey is LSGVFRWQAXYNFU-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H14N4O/c1-5(11)9-3-6(7)4-10(2)8/h4H,3,7-8H2,1-2H3,(H,9,11)/b6-4-.
What are the key properties of N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide?
N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide has a molecular weight of 158.20 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enyl]acetamide is sourced from PubChem (CID 156793839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).