N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine

C16H36N4 — CID 62773682

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCC(C)N1CCN(CCNCCN(CC)CC)CC1
InChIInChI=1S/C16H36N4/c1-5-16(4)20-14-12-19(13-15-20)11-9-17-8-10-18(6-2)7-3/h16-17H,5-15H2,1-4H3
InChIKeyYIFNSTZVFSDRBN-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.33
Rot. Bonds10

About N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 62773682) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID62773682
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCC(C)N1CCN(CCNCCN(CC)CC)CC1
InChIInChI=1S/C16H36N4/c1-5-16(4)20-14-12-19(13-15-20)11-9-17-8-10-18(6-2)7-3/h16-17H,5-15H2,1-4H3
InChIKeyYIFNSTZVFSDRBN-UHFFFAOYSA-N
XLogP1.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.33
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-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 62775059
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62773504
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502
N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 114540396
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 63167488
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 62773682) is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine is CCC(C)N1CCN(CCNCCN(CC)CC)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is YIFNSTZVFSDRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-5-16(4)20-14-12-19(13-15-20)11-9-17-8-10-18(6-2)7-3/h16-17H,5-15H2,1-4H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 62773682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).