N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

C17H34N2O — CID 62391307

IUPACN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(C)C(C)C2CC2)CCOCC1
InChIInChI=1S/C17H34N2O/c1-14(2)11-18-12-17(7-9-20-10-8-17)13-19(4)15(3)16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyROERVGUFLZMPPW-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds8

About N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62391307) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62391307
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(C)C(C)C2CC2)CCOCC1
InChIInChI=1S/C17H34N2O/c1-14(2)11-18-12-17(7-9-20-10-8-17)13-19(4)15(3)16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyROERVGUFLZMPPW-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 62391307) is N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN(C)C(C)C2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ROERVGUFLZMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)11-18-12-17(7-9-20-10-8-17)13-19(4)15(3)16-5-6-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62391307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).