(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine

C9H19NO2 — CID 130511719

IUPAC(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC(C)C1(C)OCC(CN)O1
InChIInChI=1S/C9H19NO2/c1-4-7(2)9(3)11-6-8(5-10)12-9/h7-8H,4-6,10H2,1-3H3
InChIKeyPXXPQIXJPDRBSD-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds3

About (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine

(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 130511719) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
PubChem CID130511719
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC(C)C1(C)OCC(CN)O1
InChIInChI=1S/C9H19NO2/c1-4-7(2)9(3)11-6-8(5-10)12-9/h7-8H,4-6,10H2,1-3H3
InChIKeyPXXPQIXJPDRBSD-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine (CID 130511719) is (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine is CCC(C)C1(C)OCC(CN)O1.
What is the InChIKey of (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is PXXPQIXJPDRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7(2)9(3)11-6-8(5-10)12-9/h7-8H,4-6,10H2,1-3H3.
What are the key properties of (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine?
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 130511719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).