5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine

C12H27N3 — CID 63608603

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
SMILESCCC1CN(CCCC(C)N)CCN1C
InChIInChI=1S/C12H27N3/c1-4-12-10-15(9-8-14(12)3)7-5-6-11(2)13/h11-12H,4-10,13H2,1-3H3
InChIKeyOXXGVQMMFVOXRJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine

5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine (PubChem CID 63608603) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
PubChem CID63608603
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
SMILESCCC1CN(CCCC(C)N)CCN1C
InChIInChI=1S/C12H27N3/c1-4-12-10-15(9-8-14(12)3)7-5-6-11(2)13/h11-12H,4-10,13H2,1-3H3
InChIKeyOXXGVQMMFVOXRJ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
CID 63636075
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
CID 63635899
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
2-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylhexan-1-ol
CID 64790790
1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
CID 63621254
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine (CID 63608603) is 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine is CCC1CN(CCCC(C)N)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine?
The InChIKey is OXXGVQMMFVOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-12-10-15(9-8-14(12)3)7-5-6-11(2)13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine?
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 63608603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).