2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine

C12H23NO3 — CID 104585187

IUPAC2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)C1CCCO1
InChIInChI=1S/C12H23NO3/c1-9(11-5-4-6-14-11)13-10-7-15-12(2,3)16-8-10/h9-11,13H,4-8H2,1-3H3
InChIKeyPVVGVSRCHOVHLZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.29
Rot. Bonds3

About 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 104585187) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID104585187
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC(NC1COC(C)(C)OC1)C1CCCO1
InChIInChI=1S/C12H23NO3/c1-9(11-5-4-6-14-11)13-10-7-15-12(2,3)16-8-10/h9-11,13H,4-8H2,1-3H3
InChIKeyPVVGVSRCHOVHLZ-UHFFFAOYSA-N
XLogP1.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915
N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
(4aS,9aR)-7,7-dimethyl-3,4,4a,5,9,9a-hexahydro-2H-pyrano[2,3-e][1,3]dioxepine
CID 101076749
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
CID 104531303
1-(oxolan-2-yl)ethylthiourea
CID 43533883
2,2-dimethyl-4-[(2S)-oxolan-2-yl]-1,3-dioxolane
CID 121404200

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine (CID 104585187) is 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine is CC(NC1COC(C)(C)OC1)C1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is PVVGVSRCHOVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(11-5-4-6-14-11)13-10-7-15-12(2,3)16-8-10/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 229.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 104585187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).