1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H33NO2 — CID 79907464

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-21-17(11-15)7-9-20-12-17/h13-16H,4-12,19H2,1-3H3
InChIKeyMNXNNJNBMNEGCM-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.36
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 79907464) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID79907464
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-21-17(11-15)7-9-20-12-17/h13-16H,4-12,19H2,1-3H3
InChIKeyMNXNNJNBMNEGCM-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
CID 79912664
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
9-(3-bromo-1-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 116540544
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 79907464) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is MNXNNJNBMNEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13(2)16-5-4-14(3)10-18(16,19)15-6-8-21-17(11-15)7-9-20-12-17/h13-16H,4-12,19H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79907464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).