N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine

C16H43N9 — CID 67423531

IUPACN'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
SMILESNCCNCCN(CCN)CCN.NCCNCCN1CCNCC1
InChIInChI=1S/C8H23N5.C8H20N4/c9-1-4-12-5-8-13(6-2-10)7-3-11;9-1-2-10-3-6-12-7-4-11-5-8-12/h12H,1-11H2;10-11H,1-9H2
InChIKeyHGTWHQNDNCIXRI-UHFFFAOYSA-N
MW361.58 g/mol
LogP-3.81
Rot. Bonds14

About N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine

N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine (PubChem CID 67423531) has the molecular formula C16H43N9 and a molecular weight of 361.58 g/mol. Its IUPAC name is N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
PubChem CID67423531
Molecular FormulaC16H43N9
Molecular Weight361.58 g/mol
Exact Mass361.36
IUPAC NameN'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
SMILESNCCNCCN(CCN)CCN.NCCNCCN1CCNCC1
InChIInChI=1S/C8H23N5.C8H20N4/c9-1-4-12-5-8-13(6-2-10)7-3-11;9-1-2-10-3-6-12-7-4-11-5-8-12/h12H,1-11H2;10-11H,1-9H2
InChIKeyHGTWHQNDNCIXRI-UHFFFAOYSA-N
XLogP-3.81
TPSA146.65 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.58
LogP ≤ 5-3.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
CID 143986937
CID 169426451
CID 169426451
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
CID 59630651
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine (CID 67423531) is N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine is NCCNCCN(CCN)CCN.NCCNCCN1CCNCC1.
What is the InChIKey of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is HGTWHQNDNCIXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.C8H20N4/c9-1-4-12-5-8-13(6-2-10)7-3-11;9-1-2-10-3-6-12-7-4-11-5-8-12/h12H,1-11H2;10-11H,1-9H2.
What are the key properties of N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine?
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 361.58 g/mol, XLogP of -3.81, 14 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 67423531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).