N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine

C13H28N2O — CID 64582200

IUPACN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(COC)C1
InChIInChI=1S/C13H28N2O/c1-4-5-12(2)14-7-9-15-8-6-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyVNKTUZXSHIJVEM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine

N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine (PubChem CID 64582200) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
PubChem CID64582200
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1CCC(COC)C1
InChIInChI=1S/C13H28N2O/c1-4-5-12(2)14-7-9-15-8-6-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyVNKTUZXSHIJVEM-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
CID 103540061
N-(dicyclopropylmethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64583008
N-[2-(3-methylpyrrolidin-1-yl)ethyl]pentan-2-amine
CID 62561816
[1-[2-(pentan-2-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718460
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62558793
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
CID 64581411
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]prop-2-yn-1-amine
CID 64582811

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine?
The IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine (CID 64582200) is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine?
The canonical SMILES for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine is CCCC(C)NCCN1CCC(COC)C1.
What is the InChIKey of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine?
The InChIKey is VNKTUZXSHIJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-12(2)14-7-9-15-8-6-13(10-15)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine?
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine is sourced from PubChem (CID 64582200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).