N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane

C30H75N11 — CID 176972890

About N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane

N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane (PubChem CID 176972890) has the molecular formula C30H75N11 and a molecular weight of 590.01 g/mol. Its IUPAC name is N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane.

Molecular Properties

• Compound Name: N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane
• PubChem CID: 176972890
• Molecular Formula: C30H75N11
• Molecular Weight: 590.01 g/mol
• Exact Mass: 589.62
• IUPAC Name: N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane
• SMILES: CC(C)(C)CCNCCN(CCN)CCN(CCNCCN)CCN(CCN)CCN(CCN)CCN.CC(C)C
• InChI: InChI=1S/C26H65N11.C4H10/c1-26(2,3)4-10-32-12-18-35(16-8-30)21-24-37(19-13-33-11-5-27)25-23-36(17-9-31)22-20-34(14-6-28)15-7-29;1-4(2)3/h32-33H,4-25,27-31H2,1-3H3;4H,1-3H3
• InChIKey: XJHBJIGUSRRKTH-UHFFFAOYSA-N
• XLogP: -0.73
• TPSA: 167.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	590.01
LogP ≤ 5	-0.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane?

The IUPAC name of N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane (CID 176972890) is N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane.

What is the SMILES notation for N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane?

The canonical SMILES for N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane is CC(C)(C)CCNCCN(CCN)CCN(CCNCCN)CCN(CCN)CCN(CCN)CCN.CC(C)C.

What is the InChIKey of N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane?

The InChIKey is XJHBJIGUSRRKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H65N11.C4H10/c1-26(2,3)4-10-32-12-18-35(16-8-30)21-24-37(19-13-33-11-5-27)25-23-36(17-9-31)22-20-34(14-6-28)15-7-29;1-4(2)3/h32-33H,4-25,27-31H2,1-3H3;4H,1-3H3.

What are the key properties of N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane?

N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane has a molecular weight of 590.01 g/mol, XLogP of -0.73, 27 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-(3,3-dimethylbutylamino)ethyl]amino]ethyl]amino]ethyl]ethane-1,2-diamine;2-methylpropane is sourced from PubChem (CID 176972890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).