N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine

C13H27NO — CID 157114604

IUPACN-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)OCC1(CN(C)C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-11(2)14(5)9-13(7-6-8-13)10-15-12(3)4/h11-12H,6-10H2,1-5H3
InChIKeyNCSQCSWXLIEWGG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds6

About N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine

N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 157114604) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID157114604
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)OCC1(CN(C)C(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-11(2)14(5)9-13(7-6-8-13)10-15-12(3)4/h11-12H,6-10H2,1-5H3
InChIKeyNCSQCSWXLIEWGG-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine (CID 157114604) is N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine is CC(C)OCC1(CN(C)C(C)C)CCC1.
What is the InChIKey of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is NCSQCSWXLIEWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)14(5)9-13(7-6-8-13)10-15-12(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine?
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 157114604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).