[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine

C11H22N2O2 — CID 115094517

IUPAC[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCCC1C1OCC(CN)O1
InChIInChI=1S/C11H22N2O2/c1-8(2)13-5-3-4-10(13)11-14-7-9(6-12)15-11/h8-11H,3-7,12H2,1-2H3
InChIKeyDBCGNHHKAUMBHR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds3

About [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine

[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 115094517) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine
PubChem CID115094517
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)N1CCCC1C1OCC(CN)O1
InChIInChI=1S/C11H22N2O2/c1-8(2)13-5-3-4-10(13)11-14-7-9(6-12)15-11/h8-11H,3-7,12H2,1-2H3
InChIKeyDBCGNHHKAUMBHR-UHFFFAOYSA-N
XLogP0.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168848
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 115094477
7-propan-2-yl-2-[5-(7-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-2-yl)hexan-2-yl]-2,7-diazabicyclo[4.2.0]octane
CID 135176148
5-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazinane
CID 117226465
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
2-propan-2-yl-7-sulfanyl-2,7-diazabicyclo[4.2.0]octane
CID 146439857
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 130787458
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659

Frequently Asked Questions

What is the IUPAC name of [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine (CID 115094517) is [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine is CC(C)N1CCCC1C1OCC(CN)O1.
What is the InChIKey of [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is DBCGNHHKAUMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13-5-3-4-10(13)11-14-7-9(6-12)15-11/h8-11H,3-7,12H2,1-2H3.
What are the key properties of [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine?
[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 115094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).