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

C14H30N2O — CID 83055159

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)N1CCC(COC)C1
InChIInChI=1S/C14H30N2O/c1-5-6-14(9-15-12(2)3)16-8-7-13(10-16)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyXYZUNIQIBMSRPM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

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

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine (PubChem CID 83055159) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
PubChem CID83055159
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)N1CCC(COC)C1
InChIInChI=1S/C14H30N2O/c1-5-6-14(9-15-12(2)3)16-8-7-13(10-16)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyXYZUNIQIBMSRPM-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419061
N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055142
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64569697
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
2-[3-(methoxymethyl)piperidin-1-yl]-N-methylbutan-1-amine
CID 106589339
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 83054455
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
N-ethyl-3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589294
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine (CID 83055159) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine?
The InChIKey is XYZUNIQIBMSRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-14(9-15-12(2)3)16-8-7-13(10-16)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83055159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).