ethane;2-methylguanidine

C4H13N3 — CID 91225804

IUPACethane;2-methylguanidine
SMILESCC.CN=C(N)N
InChIInChI=1S/C2H7N3.C2H6/c1-5-2(3)4;1-2/h1H3,(H4,3,4,5);1-2H3
InChIKeyNBCXVXDABUIWBS-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.08
Rot. Bonds

About ethane;2-methylguanidine

ethane;2-methylguanidine (PubChem CID 91225804) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is ethane;2-methylguanidine.

Molecular Properties

Compound Nameethane;2-methylguanidine
PubChem CID91225804
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Nameethane;2-methylguanidine
SMILESCC.CN=C(N)N
InChIInChI=1S/C2H7N3.C2H6/c1-5-2(3)4;1-2/h1H3,(H4,3,4,5);1-2H3
InChIKeyNBCXVXDABUIWBS-UHFFFAOYSA-N
XLogP-0.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylguanidine?
The IUPAC name of ethane;2-methylguanidine (CID 91225804) is ethane;2-methylguanidine.
What is the SMILES notation for ethane;2-methylguanidine?
The canonical SMILES for ethane;2-methylguanidine is CC.CN=C(N)N.
What is the InChIKey of ethane;2-methylguanidine?
The InChIKey is NBCXVXDABUIWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3.C2H6/c1-5-2(3)4;1-2/h1H3,(H4,3,4,5);1-2H3.
What are the key properties of ethane;2-methylguanidine?
ethane;2-methylguanidine has a molecular weight of 103.17 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylguanidine is sourced from PubChem (CID 91225804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).