N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene

C14H36N6 — CID 88832699

IUPACN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
SMILESC=C(C)C.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.C4H8/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-4(2)3/h13-16H,1-12H2;1H2,2-3H3
InChIKeyGFDZXMVMARUBCH-UHFFFAOYSA-N
MW288.48 g/mol
LogP-1.16
Rot. Bonds13

About N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene (PubChem CID 88832699) has the molecular formula C14H36N6 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene.

Molecular Properties

Compound NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
PubChem CID88832699
Molecular FormulaC14H36N6
Molecular Weight288.48 g/mol
Exact Mass288.30
IUPAC NameN'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
SMILESC=C(C)C.NCCNCCNCCNCCNCCN
InChIInChI=1S/C10H28N6.C4H8/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-4(2)3/h13-16H,1-12H2;1H2,2-3H3
InChIKeyGFDZXMVMARUBCH-UHFFFAOYSA-N
XLogP-1.16
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 5-1.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene?
The IUPAC name of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene (CID 88832699) is N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene.
What is the SMILES notation for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene?
The canonical SMILES for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene is C=C(C)C.NCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene?
The InChIKey is GFDZXMVMARUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28N6.C4H8/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12;1-4(2)3/h13-16H,1-12H2;1H2,2-3H3.
What are the key properties of N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene?
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene has a molecular weight of 288.48 g/mol, XLogP of -1.16, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene is sourced from PubChem (CID 88832699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).