3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine

C12H25NO2 — CID 114999123

IUPAC3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)OCC1CCOC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-6-4-11(3)15-9-12-5-7-14-8-12/h10-13H,4-9H2,1-3H3
InChIKeyBEQIHUNECPCPCK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

About 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine

3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 114999123) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
PubChem CID114999123
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)OCC1CCOC1
InChIInChI=1S/C12H25NO2/c1-10(2)13-6-4-11(3)15-9-12-5-7-14-8-12/h10-13H,4-9H2,1-3H3
InChIKeyBEQIHUNECPCPCK-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
CID 62486502
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
CID 62485593
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
CID 64708577
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine (CID 114999123) is 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)OCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is BEQIHUNECPCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13-6-4-11(3)15-9-12-5-7-14-8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine?
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114999123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).