[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine

C12H24N2O2 — CID 107910928

IUPAC[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCCN2CCCC2)CCOCC1
InChIInChI=1S/C12H24N2O2/c13-11-12(3-8-15-9-4-12)16-10-7-14-5-1-2-6-14/h1-11,13H2
InChIKeyIUCNGZUEILRCHC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

About [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine

[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine (PubChem CID 107910928) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine
PubChem CID107910928
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine
SMILESNCC1(OCCN2CCCC2)CCOCC1
InChIInChI=1S/C12H24N2O2/c13-11-12(3-8-15-9-4-12)16-10-7-14-5-1-2-6-14/h1-11,13H2
InChIKeyIUCNGZUEILRCHC-UHFFFAOYSA-N
XLogP0.61
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propoxyoxan-4-yl)methanamine
CID 65051760
[4,4-dimethyl-1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]methanamine
CID 65050899
2-[4-(aminomethyl)oxan-4-yl]oxy-N,N-dimethylethanamine
CID 65052190
1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one
CID 82897266
[4-(2-ethylsulfonylethoxy)oxan-4-yl]methanamine
CID 65051923
[4-[2-(3-methylbutoxy)ethoxy]oxan-4-yl]methanamine
CID 65051978
[4-(2-phenylethoxy)oxan-4-yl]methanamine
CID 65051705
[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 11515488
1-[4-(aminomethyl)oxan-4-yl]oxypropan-2-ol
CID 65051975
1-[2-[1-(aminomethyl)cyclohexyl]oxyethyl]imidazolidin-2-one
CID 65050826

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine (CID 107910928) is [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine is NCC1(OCCN2CCCC2)CCOCC1.
What is the InChIKey of [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine?
The InChIKey is IUCNGZUEILRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-11-12(3-8-15-9-4-12)16-10-7-14-5-1-2-6-14/h1-11,13H2.
What are the key properties of [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine?
[4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrrolidin-1-ylethoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 107910928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).