3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C17H35N3O — CID 79911395

IUPAC3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN1CCCC1CN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35N3O/c1-7-20-10-8-9-14(20)11-19(6)17(13-18)12-15(2,3)21-16(17,4)5/h14H,7-13,18H2,1-6H3
InChIKeyGVQHEABBSVKSGZ-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.08
Rot. Bonds5

About 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79911395) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79911395
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCCN1CCCC1CN(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C17H35N3O/c1-7-20-10-8-9-14(20)11-19(6)17(13-18)12-15(2,3)21-16(17,4)5/h14H,7-13,18H2,1-6H3
InChIKeyGVQHEABBSVKSGZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79911395) is 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CCN1CCCC1CN(C)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is GVQHEABBSVKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-7-20-10-8-9-14(20)11-19(6)17(13-18)12-15(2,3)21-16(17,4)5/h14H,7-13,18H2,1-6H3.
What are the key properties of 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 297.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79911395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).