2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine

C11H21NO2 — CID 115336064

IUPAC2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1NCC1CCCOC1
InChIInChI=1S/C11H21NO2/c1-9-11(4-6-14-9)12-7-10-3-2-5-13-8-10/h9-12H,2-8H2,1H3
InChIKeyUJJSWSJCTJLKEG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds3

About 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine

2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine (PubChem CID 115336064) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
PubChem CID115336064
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
SMILESCC1OCCC1NCC1CCCOC1
InChIInChI=1S/C11H21NO2/c1-9-11(4-6-14-9)12-7-10-3-2-5-13-8-10/h9-12H,2-8H2,1H3
InChIKeyUJJSWSJCTJLKEG-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
N-(1,4-dioxan-2-ylmethyl)-2-methyloxolan-3-amine
CID 115336009
N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine
CID 115338207
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
2,6-dimethyl-N-(oxan-3-ylmethyl)piperidin-1-amine
CID 83007500
N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 55243385
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-methylsulfanyl-1-(oxan-3-yl)methanamine
CID 123744693
N-[(2,2-dimethylcyclopropyl)methyl]-2-methyloxolan-3-amine
CID 103902167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine (CID 115336064) is 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine is CC1OCCC1NCC1CCCOC1.
What is the InChIKey of 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine?
The InChIKey is UJJSWSJCTJLKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-11(4-6-14-9)12-7-10-3-2-5-13-8-10/h9-12H,2-8H2,1H3.
What are the key properties of 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine?
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 115336064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).