2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane

C27H73N13 — CID 144837103

About 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane

2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane (PubChem CID 144837103) has the molecular formula C27H73N13 and a molecular weight of 579.97 g/mol. Its IUPAC name is 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane.

Molecular Properties

• Compound Name: 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane
• PubChem CID: 144837103
• Molecular Formula: C27H73N13
• Molecular Weight: 579.97 g/mol
• Exact Mass: 579.61
• IUPAC Name: 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane
• SMILES: CC(C)(N)N(CCN)CCNCCN(CCNCCN)CCN(CCN)CCN(CCN)CCN.CC(C)C.N
• InChI: InChI=1S/C23H60N12.C4H10.H3N/c1-23(2,29)35(15-7-28)18-11-31-10-17-34(16-9-30-8-3-24)22-21-33(14-6-27)20-19-32(12-4-25)13-5-26;1-4(2)3;/h30-31H,3-22,24-29H2,1-2H3;4H,1-3H3;1H3
• InChIKey: UNDHZCAYHASEDK-UHFFFAOYSA-N
• XLogP: -2.31
• TPSA: 228.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	579.97
LogP ≤ 5	-2.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane?

The IUPAC name of 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane (CID 144837103) is 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane.

What is the SMILES notation for 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane?

The canonical SMILES for 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane is CC(C)(N)N(CCN)CCNCCN(CCNCCN)CCN(CCN)CCN(CCN)CCN.CC(C)C.N.

What is the InChIKey of 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane?

The InChIKey is UNDHZCAYHASEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H60N12.C4H10.H3N/c1-23(2,29)35(15-7-28)18-11-31-10-17-34(16-9-30-8-3-24)22-21-33(14-6-27)20-19-32(12-4-25)13-5-26;1-4(2)3;/h30-31H,3-22,24-29H2,1-2H3;4H,1-3H3;1H3.

What are the key properties of 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane?

2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane has a molecular weight of 579.97 g/mol, XLogP of -2.31, 26 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane is sourced from PubChem (CID 144837103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).