N-Methyl-N'-Cyclopropyl Ethylenediamine

C₆H₁₄N₂ — CID 7171924

About N-Methyl-N'-Cyclopropyl Ethylenediamine

N-Methyl-N'-Cyclopropyl Ethylenediamine (PubChem CID 7171924) has the molecular formula C₆H₁₄N₂ and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-Methyl-N'-Cyclopropyl Ethylenediamine
• PubChem CID: 7171924
• Molecular Formula: C₆H₁₄N₂
• Molecular Weight: 114.19 g/mol
• Exact Mass: 114.12
• IUPAC Name: N'-cyclopropyl-N-methylethane-1,2-diamine
• SMILES: CNCCNC1CC1
• InChI: InChI=1S/C6H14N2/c1-7-4-5-8-6-2-3-6/h6-8H,2-5H2,1H3
• InChIKey: XJRPIZCHFSKXPJ-UHFFFAOYSA-N
• XLogP: -0.04
• TPSA: 24.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	114.19
LogP ≤ 5	-0.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-Methyl-N'-Cyclopropyl Ethylenediamine?

The IUPAC name of N-Methyl-N'-Cyclopropyl Ethylenediamine (CID 7171924) is N'-cyclopropyl-N-methylethane-1,2-diamine.

What is the SMILES notation for N-Methyl-N'-Cyclopropyl Ethylenediamine?

The canonical SMILES for N-Methyl-N'-Cyclopropyl Ethylenediamine is CNCCNC1CC1.

What is the InChIKey of N-Methyl-N'-Cyclopropyl Ethylenediamine?

The InChIKey is XJRPIZCHFSKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-7-4-5-8-6-2-3-6/h6-8H,2-5H2,1H3.

What are the key properties of N-Methyl-N'-Cyclopropyl Ethylenediamine?

N-Methyl-N'-Cyclopropyl Ethylenediamine has a molecular weight of 114.19 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-Methyl-N'-Cyclopropyl Ethylenediamine is sourced from PubChem (CID 7171924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7171924 — identifiers, structure, computed properties (public domain)

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