N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane

C10H28N4O2 — CID 161199167

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C4H10O2/c7-1-3-9-5-6-10-4-2-8;1-4(2,3)6-5/h9-10H,1-8H2;5H,1-3H3
InChIKeyUUTCDBVEWDOHMP-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.64
Rot. Bonds7

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane (PubChem CID 161199167) has the molecular formula C10H28N4O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
PubChem CID161199167
Molecular FormulaC10H28N4O2
Molecular Weight236.36 g/mol
Exact Mass236.22
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
SMILESCC(C)(C)OO.NCCNCCNCCN
InChIInChI=1S/C6H18N4.C4H10O2/c7-1-3-9-5-6-10-4-2-8;1-4(2,3)6-5/h9-10H,1-8H2;5H,1-3H3
InChIKeyUUTCDBVEWDOHMP-UHFFFAOYSA-N
XLogP-0.64
TPSA105.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-[(2-methylpropan-2-yl)oxymethyl]ethane-1,2-diamine
CID 123765079
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87318857

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane (CID 161199167) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane is CC(C)(C)OO.NCCNCCNCCN.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane?
The InChIKey is UUTCDBVEWDOHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C4H10O2/c7-1-3-9-5-6-10-4-2-8;1-4(2,3)6-5/h9-10H,1-8H2;5H,1-3H3.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane has a molecular weight of 236.36 g/mol, XLogP of -0.64, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane is sourced from PubChem (CID 161199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).