2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine

C13H27NO2 — CID 62458043

IUPAC2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(COC(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10(2)7-14-8-12-5-6-13(16-12)9-15-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyNCRYSHPSMHYLEV-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds7

About 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62458043) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62458043
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(COC(C)C)O1
InChIInChI=1S/C13H27NO2/c1-10(2)7-14-8-12-5-6-13(16-12)9-15-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyNCRYSHPSMHYLEV-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62458043) is 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCC(COC(C)C)O1.
What is the InChIKey of 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is NCRYSHPSMHYLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)7-14-8-12-5-6-13(16-12)9-15-11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62458043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).