3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine

C12H27N3 — CID 63620150

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
SMILESCCC1CN(C(C)CCNC)CCN1C
InChIInChI=1S/C12H27N3/c1-5-12-10-15(9-8-14(12)4)11(2)6-7-13-3/h11-13H,5-10H2,1-4H3
InChIKeyFPBCVMPAXOBRSU-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine

3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine (PubChem CID 63620150) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
PubChem CID63620150
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
SMILESCCC1CN(C(C)CCNC)CCN1C
InChIInChI=1S/C12H27N3/c1-5-12-10-15(9-8-14(12)4)11(2)6-7-13-3/h11-13H,5-10H2,1-4H3
InChIKeyFPBCVMPAXOBRSU-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63621875
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64726134
3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
CID 82980555
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine (CID 63620150) is 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine is CCC1CN(C(C)CCNC)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine?
The InChIKey is FPBCVMPAXOBRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-12-10-15(9-8-14(12)4)11(2)6-7-13-3/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine?
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 63620150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).