2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine

C13H29N3 — CID 82888946

IUPAC2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)13(3)11-14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3
InChIKeyLCZOZVUVFJVGEB-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.12
Rot. Bonds6

About 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine

2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine (PubChem CID 82888946) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
PubChem CID82888946
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-12(2)13(3)11-14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3
InChIKeyLCZOZVUVFJVGEB-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-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

2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol
CID 82889037
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-[(2-tert-butyl-3-methylpentoxy)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 143855994
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine (CID 82888946) is 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine is CC(C)C(C)CNCCN1CCN(C)CC1.
What is the InChIKey of 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine?
The InChIKey is LCZOZVUVFJVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(2)13(3)11-14-5-6-16-9-7-15(4)8-10-16/h12-14H,5-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine?
2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 82888946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).