3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C14H30N2O — CID 64582008

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1CCN(CC(C)CNCC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-15-8-13(3)9-16-6-5-14(10-16)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyXQWUKGZHIDLWGK-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds8

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 64582008) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID64582008
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOCC1CCN(CC(C)CNCC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-15-8-13(3)9-16-6-5-14(10-16)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyXQWUKGZHIDLWGK-UHFFFAOYSA-N
XLogP1.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 64582008) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is COCC1CCN(CC(C)CNCC(C)C)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is XQWUKGZHIDLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)7-15-8-13(3)9-16-6-5-14(10-16)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 64582008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).