1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine

C13H26N2O — CID 82835069

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCC1CCC(C)O1
InChIInChI=1S/C13H26N2O/c1-3-15-8-4-5-12(15)9-14-10-13-7-6-11(2)16-13/h11-14H,3-10H2,1-2H3
InChIKeyZXQINVYMEHUJDR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine (PubChem CID 82835069) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
PubChem CID82835069
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCC1CCC(C)O1
InChIInChI=1S/C13H26N2O/c1-3-15-8-4-5-12(15)9-14-10-13-7-6-11(2)16-13/h11-14H,3-10H2,1-2H3
InChIKeyZXQINVYMEHUJDR-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131227
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine (CID 82835069) is 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine is CCN1CCCC1CNCC1CCC(C)O1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is ZXQINVYMEHUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-15-8-4-5-12(15)9-14-10-13-7-6-11(2)16-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 82835069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).