4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine

C18H35NO — CID 79923273

IUPAC4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H35NO/c1-5-11-19-15(2)13-17(3,4)16-8-12-20-18(14-16)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3
InChIKeyBCYPRQMFLUIHET-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds6

About 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine

4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine (PubChem CID 79923273) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
PubChem CID79923273
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H35NO/c1-5-11-19-15(2)13-17(3,4)16-8-12-20-18(14-16)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3
InChIKeyBCYPRQMFLUIHET-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 79909298
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
2-(5-oxaspiro[3.5]nonan-8-yl)-1-(propylamino)propan-2-ol
CID 79907956
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
N-[2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethyl]propan-1-amine
CID 105016831
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[(2,2-dimethylcyclopropyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107004801
2,6-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yl)heptan-4-ol
CID 114865476
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine (CID 79923273) is 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
The InChIKey is BCYPRQMFLUIHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-11-19-15(2)13-17(3,4)16-8-12-20-18(14-16)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3.
What are the key properties of 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine?
4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(6-oxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 79923273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).