N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C15H34N4 — CID 114540396

IUPACN',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)17(5)15(4)13-19/h14-16H,6-13H2,1-5H3
InChIKeyQGAZHZXLSBDLCN-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.94
Rot. Bonds8

About N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 114540396) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID114540396
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)17(5)15(4)13-19/h14-16H,6-13H2,1-5H3
InChIKeyQGAZHZXLSBDLCN-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 81469093
N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 63167488
N',N'-diethyl-N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 83221004
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 62773682
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 102728652
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 2125367
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 115562322

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 114540396) is N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCN1CC(C)N(C)C(C)C1.
What is the InChIKey of N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is QGAZHZXLSBDLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-6-18(7-2)10-8-16-9-11-19-12-14(3)17(5)15(4)13-19/h14-16H,6-13H2,1-5H3.
What are the key properties of N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114540396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).