2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine

C12H26N2O — CID 64568314

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-3-4-5-12(8-13)14-7-6-11(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyHWLLKUOASAPVEL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine

2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine (PubChem CID 64568314) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
PubChem CID64568314
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCC(COC)C1
InChIInChI=1S/C12H26N2O/c1-3-4-5-12(8-13)14-7-6-11(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyHWLLKUOASAPVEL-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63971703
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 66427812
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpentan-1-amine
CID 83055159
2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
CID 61440391
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
N-methyl-1-(1-octan-4-ylpyrrolidin-3-yl)methanamine
CID 106019244
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64569697
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
3-amino-2-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 104711134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine (CID 64568314) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine is CCCCC(CN)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine?
The InChIKey is HWLLKUOASAPVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-12(8-13)14-7-6-11(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 7 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]hexan-1-amine is sourced from PubChem (CID 64568314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).