N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen

C11H29N5 — CID 143986937

IUPACN'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
SMILESCN(CCN)CCNCCN1CCNCC1.[H][H]
InChIInChI=1S/C11H27N5.H2/c1-15(7-2-12)8-3-13-4-9-16-10-5-14-6-11-16;/h13-14H,2-12H2,1H3;1H
InChIKeyYXRCDWQOOWUYJC-UHFFFAOYSA-N
MW231.39 g/mol
LogP-1.38
Rot. Bonds8

About N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen

N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen (PubChem CID 143986937) has the molecular formula C11H29N5 and a molecular weight of 231.39 g/mol. Its IUPAC name is N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen.

Molecular Properties

Compound NameN'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
PubChem CID143986937
Molecular FormulaC11H29N5
Molecular Weight231.39 g/mol
Exact Mass231.24
IUPAC NameN'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
SMILESCN(CCN)CCNCCN1CCNCC1.[H][H]
InChIInChI=1S/C11H27N5.H2/c1-15(7-2-12)8-3-13-4-9-16-10-5-14-6-11-16;/h13-14H,2-12H2,1H3;1H
InChIKeyYXRCDWQOOWUYJC-UHFFFAOYSA-N
XLogP-1.38
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
CID 67423531
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
CID 169426451
CID 169426451
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
ethyl 3-(2-piperazin-1-ylethylamino)propanoate
CID 54544450
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen?
The IUPAC name of N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen (CID 143986937) is N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen.
What is the SMILES notation for N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen?
The canonical SMILES for N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen is CN(CCN)CCNCCN1CCNCC1.[H][H].
What is the InChIKey of N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen?
The InChIKey is YXRCDWQOOWUYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5.H2/c1-15(7-2-12)8-3-13-4-9-16-10-5-14-6-11-16;/h13-14H,2-12H2,1H3;1H.
What are the key properties of N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen?
N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen has a molecular weight of 231.39 g/mol, XLogP of -1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen is sourced from PubChem (CID 143986937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).