(2,2-diethyl-1,3-dioxolan-4-yl)methanamine

C8H17NO2 — CID 23170380

IUPAC(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1(CC)OCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-3-8(4-2)10-6-7(5-9)11-8/h7H,3-6,9H2,1-2H3
InChIKeyYTLIYYODXCUVQI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds3

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

(2,2-diethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 23170380) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2,2-diethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID23170380
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2,2-diethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1(CC)OCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-3-8(4-2)10-6-7(5-9)11-8/h7H,3-6,9H2,1-2H3
InChIKeyYTLIYYODXCUVQI-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-2-ethyl-1,3-dioxolan-4-yl)methanamine
CID 82776626
(4S)-2,2-diethyl-4-(2-methoxyethyl)-1,3-dioxolane
CID 131860944
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
(4S)-4-[(E)-3-bromobut-2-enyl]-2,2-diethyl-1,3-dioxolane
CID 11807504
(2S)-1-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10867343
S-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl] ethanethioate
CID 87982834
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
CID 130511719
(2,2-diethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
CID 70958215
N-[2-(2,2-diethyl-1,3-dioxolan-4-yl)ethyl]pentan-1-amine
CID 170573008
(1S,2S)-1,2-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 15929605
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
(7,7,9-trimethyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanamine
CID 106664582

Frequently Asked Questions

What is the IUPAC name of (2,2-diethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2,2-diethyl-1,3-dioxolan-4-yl)methanamine (CID 23170380) is (2,2-diethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2,2-diethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2,2-diethyl-1,3-dioxolan-4-yl)methanamine is CCC1(CC)OCC(CN)O1.
What is the InChIKey of (2,2-diethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is YTLIYYODXCUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-8(4-2)10-6-7(5-9)11-8/h7H,3-6,9H2,1-2H3.
What are the key properties of (2,2-diethyl-1,3-dioxolan-4-yl)methanamine?
(2,2-diethyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 23170380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).