2-methyliminopropane-1,1-diamine

C4H11N3 — CID 168878284

IUPAC2-methyliminopropane-1,1-diamine
SMILESC/N=C(\C)C(N)N
InChIInChI=1S/C4H11N3/c1-3(7-2)4(5)6/h4H,5-6H2,1-2H3/b7-3+
InChIKeyNIRWIELBDPLJDK-XVNBXDOJSA-N
MW101.15 g/mol
LogP-0.68
Rot. Bonds1

About 2-methyliminopropane-1,1-diamine

2-methyliminopropane-1,1-diamine (PubChem CID 168878284) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-methyliminopropane-1,1-diamine.

Molecular Properties

Compound Name2-methyliminopropane-1,1-diamine
PubChem CID168878284
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name2-methyliminopropane-1,1-diamine
SMILESC/N=C(\C)C(N)N
InChIInChI=1S/C4H11N3/c1-3(7-2)4(5)6/h4H,5-6H2,1-2H3/b7-3+
InChIKeyNIRWIELBDPLJDK-XVNBXDOJSA-N
XLogP-0.68
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyliminopropane-1,1-diamine?
The IUPAC name of 2-methyliminopropane-1,1-diamine (CID 168878284) is 2-methyliminopropane-1,1-diamine.
What is the SMILES notation for 2-methyliminopropane-1,1-diamine?
The canonical SMILES for 2-methyliminopropane-1,1-diamine is C/N=C(\C)C(N)N.
What is the InChIKey of 2-methyliminopropane-1,1-diamine?
The InChIKey is NIRWIELBDPLJDK-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H11N3/c1-3(7-2)4(5)6/h4H,5-6H2,1-2H3/b7-3+.
What are the key properties of 2-methyliminopropane-1,1-diamine?
2-methyliminopropane-1,1-diamine has a molecular weight of 101.15 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminopropane-1,1-diamine is sourced from PubChem (CID 168878284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).