4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine

C18H33NO2 — CID 102896417

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C18H33NO2/c1-2-13-19-15-5-7-16(8-6-15)20-14-17-9-12-18(21-17)10-3-4-11-18/h15-17,19H,2-14H2,1H3
InChIKeyNDLNODUHUUYWFP-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.81
Rot. Bonds6

About 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine

4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine (PubChem CID 102896417) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine
PubChem CID102896417
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C18H33NO2/c1-2-13-19-15-5-7-16(8-6-15)20-14-17-9-12-18(21-17)10-3-4-11-18/h15-17,19H,2-14H2,1H3
InChIKeyNDLNODUHUUYWFP-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
3-(cyclopentylmethoxy)-N-propylcyclopentan-1-amine
CID 79631925
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
CID 102900242
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526
3-(5-oxaspiro[3.5]nonan-6-ylmethoxy)azetidine
CID 165499811

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine (CID 102896417) is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine is CCCNC1CCC(OCC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine?
The InChIKey is NDLNODUHUUYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-13-19-15-5-7-16(8-6-15)20-14-17-9-12-18(21-17)10-3-4-11-18/h15-17,19H,2-14H2,1H3.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine?
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 102896417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).