(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

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

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Related Compounds

{8-Methyl-1,4-dioxaspiro[4.5]decan-2-yl}methanamine
CID 55263052
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine
CID 9890221
[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
CID 22852073
1-(2,2-Diethyl-1,3-dioxolan-4-yl)methanamine
CID 23170380
2-Methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
CID 23297910
[2,2-Bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
CID 23515024
[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine
CID 28798214
(1S)-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
CID 54203584
[(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 58158410
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 58158444
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 58287026
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 58287038

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).