N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine

C17H34N2O — CID 63740115

IUPACN-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCCCCC2)CCCOC1
InChIInChI=1S/C17H34N2O/c1-16(2)18-13-17(9-8-12-20-15-17)14-19-10-6-4-3-5-7-11-19/h16,18H,3-15H2,1-2H3
InChIKeyRINBOXXLHLLWFD-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine

N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine (PubChem CID 63740115) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
PubChem CID63740115
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCCCCC2)CCCOC1
InChIInChI=1S/C17H34N2O/c1-16(2)18-13-17(9-8-12-20-15-17)14-19-10-6-4-3-5-7-11-19/h16,18H,3-15H2,1-2H3
InChIKeyRINBOXXLHLLWFD-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine (CID 63740115) is N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCCCCCC2)CCCOC1.
What is the InChIKey of N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The InChIKey is RINBOXXLHLLWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2)18-13-17(9-8-12-20-15-17)14-19-10-6-4-3-5-7-11-19/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63740115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).