1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine

C17H26N2O2 — CID 104705115

IUPAC1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
SMILESCOC1(CNC2CCN(Cc3ccccc3)C2)CCOC1
InChIInChI=1S/C17H26N2O2/c1-20-17(8-10-21-14-17)13-18-16-7-9-19(12-16)11-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyCCAACUIOIJHCIO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds6

About 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 104705115) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
PubChem CID104705115
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
SMILESCOC1(CNC2CCN(Cc3ccccc3)C2)CCOC1
InChIInChI=1S/C17H26N2O2/c1-20-17(8-10-21-14-17)13-18-16-7-9-19(12-16)11-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyCCAACUIOIJHCIO-UHFFFAOYSA-N
XLogP1.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidin-3-amine
CID 103748644
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
(3R)-3-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]thiolan-3-ol
CID 97055622

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine (CID 104705115) is 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine is COC1(CNC2CCN(Cc3ccccc3)C2)CCOC1.
What is the InChIKey of 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is CCAACUIOIJHCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-17(8-10-21-14-17)13-18-16-7-9-19(12-16)11-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3.
What are the key properties of 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 104705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).