2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine

C42H109N15O4 — CID 159313870

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 159313870) has the molecular formula C42H109N15O4 and a molecular weight of 888.43 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

• Compound Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine
• PubChem CID: 159313870
• Molecular Formula: C42H109N15O4
• Molecular Weight: 888.43 g/mol
• Exact Mass: 887.88
• IUPAC Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine
• SMILES: CC(CN)CCCN.CCC(N)CCN.CN1CCN(CCCN)CC1.NCCCN.NCCCN1CCCC1.NCCCNCCO.NCCOCCOCCOCCN
• InChI: InChI=1S/C8H19N3.C8H20N2O3.C7H16N2.C6H16N2.C5H14N2O.C5H14N2.C3H10N2/c1-10-5-7-11(8-6-10)4-2-3-9;9-1-3-11-5-7-13-8-6-12-4-2-10;8-4-3-7-9-5-1-2-6-9;1-6(5-8)3-2-4-7;6-2-1-3-7-4-5-8;1-2-5(7)3-4-6;4-2-1-3-5/h2-9H2,1H3;1-10H2;1-8H2;6H,2-5,7-8H2,1H3;7-8H,1-6H2;5H,2-4,6-7H2,1H3;1-5H2
• InChIKey: LCWRDHOSVHMQNG-UHFFFAOYSA-N
• XLogP: -2.43
• TPSA: 355.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.43
LogP ≤ 5	-2.43
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine?

The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine (CID 159313870) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine.

What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine?

The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine is CC(CN)CCCN.CCC(N)CCN.CN1CCN(CCCN)CC1.NCCCN.NCCCN1CCCC1.NCCCNCCO.NCCOCCOCCOCCN.

What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine?

The InChIKey is LCWRDHOSVHMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H20N2O3.C7H16N2.C6H16N2.C5H14N2O.C5H14N2.C3H10N2/c1-10-5-7-11(8-6-10)4-2-3-9;9-1-3-11-5-7-13-8-6-12-4-2-10;8-4-3-7-9-5-1-2-6-9;1-6(5-8)3-2-4-7;6-2-1-3-7-4-5-8;1-2-5(7)3-4-6;4-2-1-3-5/h2-9H2,1H3;1-10H2;1-8H2;6H,2-5,7-8H2,1H3;7-8H,1-6H2;5H,2-4,6-7H2,1H3;1-5H2.

What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine?

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 888.43 g/mol, XLogP of -2.43, 30 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 159313870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).