[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine

C12H24N2O — CID 79188765

IUPAC[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
SMILESCC1CN(C2(CN)CCCOC2)CC1C
InChIInChI=1S/C12H24N2O/c1-10-6-14(7-11(10)2)12(8-13)4-3-5-15-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyCKERAVCWRVCWCH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds2

About [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine

[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine (PubChem CID 79188765) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
PubChem CID79188765
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine
SMILESCC1CN(C2(CN)CCCOC2)CC1C
InChIInChI=1S/C12H24N2O/c1-10-6-14(7-11(10)2)12(8-13)4-3-5-15-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyCKERAVCWRVCWCH-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
[3-(azetidin-1-yl)oxolan-3-yl]methanamine
CID 84763755
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxepan-4-yl]methanamine
CID 66392857
[3-(3,3-dimethylazetidin-1-yl)oxolan-3-yl]methanamine
CID 130874622
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
1-[1-(aminomethyl)cycloheptyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464681
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 79188486

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine?
The IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine (CID 79188765) is [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine is CC1CN(C2(CN)CCCOC2)CC1C.
What is the InChIKey of [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine?
The InChIKey is CKERAVCWRVCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-6-14(7-11(10)2)12(8-13)4-3-5-15-9-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine?
[3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylpyrrolidin-1-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 79188765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).