N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine

C29H74N8 — CID 157339387

About N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine

N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine (PubChem CID 157339387) has the molecular formula C29H74N8 and a molecular weight of 534.97 g/mol. Its IUPAC name is N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine.

Molecular Properties

• Compound Name: N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine
• PubChem CID: 157339387
• Molecular Formula: C29H74N8
• Molecular Weight: 534.97 g/mol
• Exact Mass: 534.60
• IUPAC Name: N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine
• SMILES: CC(C)CN.CCC(C)CC(C)(C)CN.CCCCCC(C)CN.NCCNCCN(CCN)CCN
• InChI: InChI=1S/C9H21N.C8H23N5.C8H19N.C4H11N/c1-5-8(2)6-9(3,4)7-10;9-1-4-12-5-8-13(6-2-10)7-3-11;1-3-4-5-6-8(2)7-9;1-4(2)3-5/h8H,5-7,10H2,1-4H3;12H,1-11H2;8H,3-7,9H2,1-2H3;4H,3,5H2,1-2H3
• InChIKey: BGFJTWWQOXVHLM-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 171.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.97
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine?

The IUPAC name of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine (CID 157339387) is N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine.

What is the SMILES notation for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine?

The canonical SMILES for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine is CC(C)CN.CCC(C)CC(C)(C)CN.CCCCCC(C)CN.NCCNCCN(CCN)CCN.

What is the InChIKey of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine?

The InChIKey is BGFJTWWQOXVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H23N5.C8H19N.C4H11N/c1-5-8(2)6-9(3,4)7-10;9-1-4-12-5-8-13(6-2-10)7-3-11;1-3-4-5-6-8(2)7-9;1-4(2)3-5/h8H,5-7,10H2,1-4H3;12H,1-11H2;8H,3-7,9H2,1-2H3;4H,3,5H2,1-2H3.

What are the key properties of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine?

N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine has a molecular weight of 534.97 g/mol, XLogP of 2.92, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;2-methylheptan-1-amine;2-methylpropan-1-amine;2,2,4-trimethylhexan-1-amine is sourced from PubChem (CID 157339387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).