3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine

C15H31N3O — CID 61241020

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCC1CCOC1)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)15(18-7-5-17(3)6-8-18)11-16-10-14-4-9-19-12-14/h13-16H,4-12H2,1-3H3
InChIKeyGVPRZBDHMVBHRO-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.88
Rot. Bonds6

About 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine

3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine (PubChem CID 61241020) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine
PubChem CID61241020
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCC1CCOC1)N1CCN(C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)15(18-7-5-17(3)6-8-18)11-16-10-14-4-9-19-12-14/h13-16H,4-12H2,1-3H3
InChIKeyGVPRZBDHMVBHRO-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine (CID 61241020) is 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine is CC(C)C(CNCC1CCOC1)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The InChIKey is GVPRZBDHMVBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)15(18-7-5-17(3)6-8-18)11-16-10-14-4-9-19-12-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine?
3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 61241020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).