N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine

C₁₅H₃₀N₂ — CID 154938731

About N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine

N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine (PubChem CID 154938731) has the molecular formula C₁₅H₃₀N₂ and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
• PubChem CID: 154938731
• Molecular Formula: C₁₅H₃₀N₂
• Molecular Weight: 238.42 g/mol
• Exact Mass: 238.24
• IUPAC Name: N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine
• SMILES: C=CCN(CCC)CCN(CCC)CC(=C)C
• InChI: InChI=1S/C15H30N2/c1-6-9-16(10-7-2)12-13-17(11-8-3)14-15(4)5/h6H,1,4,7-14H2,2-3,5H3
• InChIKey: MCLKDKQXCQSSDU-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.42
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?

The IUPAC name of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine (CID 154938731) is N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine.

What is the SMILES notation for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?

The canonical SMILES for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine is C=CCN(CCC)CCN(CCC)CC(=C)C.

What is the InChIKey of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?

The InChIKey is MCLKDKQXCQSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-9-16(10-7-2)12-13-17(11-8-3)14-15(4)5/h6H,1,4,7-14H2,2-3,5H3.

What are the key properties of N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine?

N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-methylprop-2-enyl)-N-prop-2-enyl-N,N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 154938731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154938731 — identifiers, structure, computed properties (public domain)

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