N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C13H30N4 — CID 145302362

IUPACN-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17/h5-13H2,1-4H3
InChIKeyCCRXYSOWBIZUOY-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.12
Rot. Bonds7

About N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 145302362) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID145302362
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17/h5-13H2,1-4H3
InChIKeyCCRXYSOWBIZUOY-UHFFFAOYSA-N
XLogP0.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
2-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl-methylamino]acetic acid
CID 178078829
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
N-ethyl-N-methyl-2-(4-prop-1-ynylpiperidin-1-yl)ethanamine
CID 166008503
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
CID 58998079
CID 58998079
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 145302362) is N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CCN(C)CCN(C)CCN1CCN(C)CC1.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is CCRXYSOWBIZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-5-14(2)6-7-15(3)8-11-17-12-9-16(4)10-13-17/h5-13H2,1-4H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 145302362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).