1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine

C13H27NO2 — CID 115726718

IUPAC1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO2/c1-5-15-9-11(4)14-8-12-6-7-16-13(12)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyPCSAETZKFMTBEG-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds7

About 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine

1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine (PubChem CID 115726718) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
PubChem CID115726718
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO2/c1-5-15-9-11(4)14-8-12-6-7-16-13(12)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyPCSAETZKFMTBEG-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
CID 128989924
N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
CID 104582900
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
3-[(1-ethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271450
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
4-[(1-ethoxypropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964102
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethoxypropan-2-amine
CID 116521359
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine (CID 115726718) is 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine is CCOCC(C)NCC1CCOC1C(C)C.
What is the InChIKey of 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine?
The InChIKey is PCSAETZKFMTBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-15-9-11(4)14-8-12-6-7-16-13(12)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine?
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).