3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C15H34N4 — CID 62888034

IUPAC3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyRHIYFNFAYYRZQJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.80
Rot. Bonds8

About 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62888034) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62888034
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyRHIYFNFAYYRZQJ-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
CID 104746000
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025
3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 114413093
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]sulfonyl-N-propan-2-ylpropan-1-amine
CID 62889194

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 62888034) is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is RHIYFNFAYYRZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62888034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).