3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine

C18H24N2O — CID 103058489

IUPAC3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine
SMILESCCN(CC1COCCC1N)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-2-20(12-15-13-21-11-10-17(15)19)18-9-5-7-14-6-3-4-8-16(14)18/h3-9,15,17H,2,10-13,19H2,1H3
InChIKeyRWALAYNKJIVBSV-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.03
Rot. Bonds4

About 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine

3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine (PubChem CID 103058489) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine.

Molecular Properties

Compound Name3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine
PubChem CID103058489
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine
SMILESCCN(CC1COCCC1N)c1cccc2ccccc12
InChIInChI=1S/C18H24N2O/c1-2-20(12-15-13-21-11-10-17(15)19)18-9-5-7-14-6-3-4-8-16(14)18/h3-9,15,17H,2,10-13,19H2,1H3
InChIKeyRWALAYNKJIVBSV-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinepropanamine, N-1-naphthalenyl-
CID 78898
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
(3S,4R)-3-butyl-1-(naphthalen-2-yl)piperidin-4-amine
CID 11609419
3-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]propyl N-naphthalen-1-ylcarbamate
CID 261335
(3R,4R)-3-butyl-1-(naphthalen-2-yl)piperidin-4-amine
CID 11602166
3-Butyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 11616775
US11673883, Example 42
CID 132166406
US11673883, Example 44
CID 132166477
US11673883, Example 43
CID 132166478
US11673883, Example 34
CID 132185595
Carbamic acid, alpha-naphthyl-, 3-(2'-methylpiperidino)propyl ester
CID 46076
3-(2-Methylpiperidin-1-yl)propyl hydrogen naphthalen-1-ylcarbonimidate--hydrogen chloride (1/1)
CID 49790

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine?
The IUPAC name of 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine (CID 103058489) is 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine.
What is the SMILES notation for 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine?
The canonical SMILES for 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine is CCN(CC1COCCC1N)c1cccc2ccccc12.
What is the InChIKey of 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine?
The InChIKey is RWALAYNKJIVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-20(12-15-13-21-11-10-17(15)19)18-9-5-7-14-6-3-4-8-16(14)18/h3-9,15,17H,2,10-13,19H2,1H3.
What are the key properties of 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine?
3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(naphthalen-1-yl)amino]methyl]oxan-4-amine is sourced from PubChem (CID 103058489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).