2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine

C8H15NO2 — CID 141239742

IUPAC2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
SMILESCC(C)(N)CC1(C)OC=CO1
InChIInChI=1S/C8H15NO2/c1-7(2,9)6-8(3)10-4-5-11-8/h4-5H,6,9H2,1-3H3
InChIKeyKNMWWWHOTZYPRB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.35
Rot. Bonds2

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

2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine (PubChem CID 141239742) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
PubChem CID141239742
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine
SMILESCC(C)(N)CC1(C)OC=CO1
InChIInChI=1S/C8H15NO2/c1-7(2,9)6-8(3)10-4-5-11-8/h4-5H,6,9H2,1-3H3
InChIKeyKNMWWWHOTZYPRB-UHFFFAOYSA-N
XLogP1.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(2-methyl-1,3-dioxol-2-yl)butan-2-amine
CID 141239741
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-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine (CID 141239742) is 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine is CC(C)(N)CC1(C)OC=CO1.
What is the InChIKey of 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine?
The InChIKey is KNMWWWHOTZYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2,9)6-8(3)10-4-5-11-8/h4-5H,6,9H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine?
2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine has a molecular weight of 157.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1,3-dioxol-2-yl)propan-2-amine is sourced from PubChem (CID 141239742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).