2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine

C13H29N3 — CID 63609825

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)N1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-6-13(14-7-2)12(4)16-9-8-15(5)11(3)10-16/h11-14H,6-10H2,1-5H3
InChIKeyWJHUWXRDGVCLFX-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine

2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine (PubChem CID 63609825) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine
PubChem CID63609825
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)N1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-6-13(14-7-2)12(4)16-9-8-15(5)11(3)10-16/h11-14H,6-10H2,1-5H3
InChIKeyWJHUWXRDGVCLFX-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64790816
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pentan-3-amine
CID 114086705
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
N-ethyl-2-(4-methoxy-2-methylpiperidin-1-yl)pentan-3-amine
CID 114220921
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 63610006
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543177
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine (CID 63609825) is 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine is CCNC(CC)C(C)N1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine?
The InChIKey is WJHUWXRDGVCLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-13(14-7-2)12(4)16-9-8-15(5)11(3)10-16/h11-14H,6-10H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine?
2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine is sourced from PubChem (CID 63609825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).