N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C17H33NO2 — CID 62107337

IUPACN-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOCC2)CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-4-18-13-17(20-16-7-11-19-12-8-16)9-5-15(6-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyBDMWONKOMAZOKS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds6

About N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 62107337) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID62107337
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OC2CCOCC2)CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-4-18-13-17(20-16-7-11-19-12-8-16)9-5-15(6-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyBDMWONKOMAZOKS-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 62107337) is N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1(OC2CCOCC2)CCC(C(C)C)CC1.
What is the InChIKey of N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is BDMWONKOMAZOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-18-13-17(20-16-7-11-19-12-8-16)9-5-15(6-10-17)14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62107337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).