[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine

C13H26N2O — CID 102784429

IUPAC[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(CC2CCC(C)(C)O2)C1CN
InChIInChI=1S/C13H26N2O/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9,14H2,1-3H3
InChIKeyBTEIGSJELBXCQR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine

[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 102784429) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
PubChem CID102784429
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(CC2CCC(C)(C)O2)C1CN
InChIInChI=1S/C13H26N2O/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9,14H2,1-3H3
InChIKeyBTEIGSJELBXCQR-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898456
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanamine
CID 102898455
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
CID 116520993
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 116524616
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
3-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylpyrrolidine
CID 130769945
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 116520991
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
CID 116525280

Frequently Asked Questions

What is the IUPAC name of [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine (CID 102784429) is [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine is CC1CCN(CC2CCC(C)(C)O2)C1CN.
What is the InChIKey of [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is BTEIGSJELBXCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine?
[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).