2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine

C9H17NO2 — CID 141239741

IUPAC2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine
SMILESCC(C)(N)CCC1(C)OC=CO1
InChIInChI=1S/C9H17NO2/c1-8(2,10)4-5-9(3)11-6-7-12-9/h6-7H,4-5,10H2,1-3H3
InChIKeyZYODNUPLWXMOSK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.74
Rot. Bonds3

About 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine

2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine (PubChem CID 141239741) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine
PubChem CID141239741
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine
SMILESCC(C)(N)CCC1(C)OC=CO1
InChIInChI=1S/C9H17NO2/c1-8(2,10)4-5-9(3)11-6-7-12-9/h6-7H,4-5,10H2,1-3H3
InChIKeyZYODNUPLWXMOSK-UHFFFAOYSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-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-Methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
CID 141239742
4-(1,3-Dioxol-2-yl)-2-methylbutan-2-amine
CID 141242552
1-[2-(2-Amino-2-methylpropyl)-1,3-dioxol-2-yl]-2-methylpropan-2-amine
CID 174777907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine (CID 141239741) is 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine is CC(C)(N)CCC1(C)OC=CO1.
What is the InChIKey of 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine?
The InChIKey is ZYODNUPLWXMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2,10)4-5-9(3)11-6-7-12-9/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine?
2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine has a molecular weight of 171.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine is sourced from PubChem (CID 141239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).