3-(oxolan-2-ylmethoxymethyl)pentan-3-amine

C11H23NO2 — CID 64571645

IUPAC3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h10H,3-9,12H2,1-2H3
InChIKeyKLIKRTHBIAPUQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds6

About 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine

3-(oxolan-2-ylmethoxymethyl)pentan-3-amine (PubChem CID 64571645) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
PubChem CID64571645
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCO1
InChIInChI=1S/C11H23NO2/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h10H,3-9,12H2,1-2H3
InChIKeyKLIKRTHBIAPUQQ-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
CID 64999459
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
oxolan-2-ylmethyl hypochlorite
CID 22491519
2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805051
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine (CID 64571645) is 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine is CCC(N)(CC)COCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine?
The InChIKey is KLIKRTHBIAPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-11(12,4-2)9-13-8-10-6-5-7-14-10/h10H,3-9,12H2,1-2H3.
What are the key properties of 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine?
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine has a molecular weight of 201.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxymethyl)pentan-3-amine is sourced from PubChem (CID 64571645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).