N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine

C11H21NO3 — CID 107386372

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO3/c1-8-10(4-5-13-8)12-6-9-7-14-11(2,3)15-9/h8-10,12H,4-7H2,1-3H3
InChIKeyGIHBVEZDLWHTQN-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.90
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 107386372) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
PubChem CID107386372
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1COC(C)(C)O1
InChIInChI=1S/C11H21NO3/c1-8-10(4-5-13-8)12-6-9-7-14-11(2,3)15-9/h8-10,12H,4-7H2,1-3H3
InChIKeyGIHBVEZDLWHTQN-UHFFFAOYSA-N
XLogP0.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
CID 14747641
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 107386158
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
2-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386457
2-tert-butyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexan-1-amine
CID 107386074
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-[(2,2-dimethylcyclopropyl)methyl]-2-methyloxolan-3-amine
CID 103902167
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-amine
CID 102897677
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107386326

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine (CID 107386372) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine is CC1OCCC1NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is GIHBVEZDLWHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-10(4-5-13-8)12-6-9-7-14-11(2,3)15-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 215.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 107386372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).