5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine

C18H33NO — CID 79912209

IUPAC5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C18H33NO/c1-2-4-14-5-7-15(8-6-14)17(19)16-9-12-20-18(13-16)10-3-11-18/h14-17H,2-13,19H2,1H3
InChIKeyBEYLCUBSECHKMQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.27
Rot. Bonds4

About 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine

5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine (PubChem CID 79912209) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
PubChem CID79912209
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C18H33NO/c1-2-4-14-5-7-15(8-6-14)17(19)16-9-12-20-18(13-16)10-3-11-18/h14-17H,2-13,19H2,1H3
InChIKeyBEYLCUBSECHKMQ-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine with MolForge

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
[(4-ethylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105231573
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79906988
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010294
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine (CID 79912209) is 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine?
The InChIKey is BEYLCUBSECHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-4-14-5-7-15(8-6-14)17(19)16-9-12-20-18(13-16)10-3-11-18/h14-17H,2-13,19H2,1H3.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine?
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine has a molecular weight of 279.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 79912209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).