3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine

C14H28N2O — CID 114113999

IUPAC3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
SMILESCC(C)C1(CNC2(C)CCCOC2)CCNC1
InChIInChI=1S/C14H28N2O/c1-12(2)14(6-7-15-9-14)10-16-13(3)5-4-8-17-11-13/h12,15-16H,4-11H2,1-3H3
InChIKeyADUPGLHRGOPUOL-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.78
Rot. Bonds4

About 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine

3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine (PubChem CID 114113999) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
PubChem CID114113999
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine
SMILESCC(C)C1(CNC2(C)CCCOC2)CCNC1
InChIInChI=1S/C14H28N2O/c1-12(2)14(6-7-15-9-14)10-16-13(3)5-4-8-17-11-13/h12,15-16H,4-11H2,1-3H3
InChIKeyADUPGLHRGOPUOL-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine
CID 70049142
6-Ethyl-9-oxa-1-azaspiro[4.5]decane
CID 122597267
(5S,6S)-6-methyl-9-oxa-1-azaspiro[4.5]decane
CID 122597372
N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine
CID 130443361
3-(2,2-Dimethyl-1,3-oxazolidin-4-yl)-2,3-dimethylbutan-2-amine
CID 146667546
8-Tert-butyl-2-oxa-5-azaspiro[3.4]octane
CID 146860634
3-Tert-butyl-2-(ethoxymethyl)pyrrolidine
CID 153621577
N-[2-[1-[1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-3-yl]propan-2-yloxy]ethyl]-2-methylpropan-2-amine
CID 170021341
2-methyl-N-[[4-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066477
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066618
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55161167
1-(oxan-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 55167088

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine?
The IUPAC name of 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine (CID 114113999) is 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine.
What is the SMILES notation for 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine?
The canonical SMILES for 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine is CC(C)C1(CNC2(C)CCCOC2)CCNC1.
What is the InChIKey of 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine?
The InChIKey is ADUPGLHRGOPUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)14(6-7-15-9-14)10-16-13(3)5-4-8-17-11-13/h12,15-16H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine?
3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]oxan-3-amine is sourced from PubChem (CID 114113999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).