N,2-diamino-N-methylethanimidamide

C3H10N4 — CID 123848163

IUPACN,2-diamino-N-methylethanimidamide
SMILES[H]/N=C(\CN)N(C)N
InChIInChI=1S/C3H10N4/c1-7(6)3(5)2-4/h5H,2,4,6H2,1H3/b5-3+
InChIKeySREQWHZZCKHXQN-HWKANZROSA-N
MW102.14 g/mol
LogP-1.27
Rot. Bonds1

About N,2-diamino-N-methylethanimidamide

N,2-diamino-N-methylethanimidamide (PubChem CID 123848163) has the molecular formula C3H10N4 and a molecular weight of 102.14 g/mol. Its IUPAC name is N,2-diamino-N-methylethanimidamide.

Molecular Properties

Compound NameN,2-diamino-N-methylethanimidamide
PubChem CID123848163
Molecular FormulaC3H10N4
Molecular Weight102.14 g/mol
Exact Mass102.09
IUPAC NameN,2-diamino-N-methylethanimidamide
SMILES[H]/N=C(\CN)N(C)N
InChIInChI=1S/C3H10N4/c1-7(6)3(5)2-4/h5H,2,4,6H2,1H3/b5-3+
InChIKeySREQWHZZCKHXQN-HWKANZROSA-N
XLogP-1.27
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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,2-diamino-N-methylethanimidamide?
The IUPAC name of N,2-diamino-N-methylethanimidamide (CID 123848163) is N,2-diamino-N-methylethanimidamide.
What is the SMILES notation for N,2-diamino-N-methylethanimidamide?
The canonical SMILES for N,2-diamino-N-methylethanimidamide is [H]/N=C(\CN)N(C)N.
What is the InChIKey of N,2-diamino-N-methylethanimidamide?
The InChIKey is SREQWHZZCKHXQN-HWKANZROSA-N. The full InChI is InChI=1S/C3H10N4/c1-7(6)3(5)2-4/h5H,2,4,6H2,1H3/b5-3+.
What are the key properties of N,2-diamino-N-methylethanimidamide?
N,2-diamino-N-methylethanimidamide has a molecular weight of 102.14 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diamino-N-methylethanimidamide is sourced from PubChem (CID 123848163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).