1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine

C18H33NO2 — CID 81033462

IUPAC1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H33NO2/c1-14-3-4-16(13-19-2)17(11-14)15-5-8-21-18(12-15)6-9-20-10-7-18/h14-17,19H,3-13H2,1-2H3
InChIKeyADDBBQYLSQDGPN-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81033462) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81033462
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H33NO2/c1-14-3-4-16(13-19-2)17(11-14)15-5-8-21-18(12-15)6-9-20-10-7-18/h14-17,19H,3-13H2,1-2H3
InChIKeyADDBBQYLSQDGPN-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81026190
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine
CID 81013625
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine (CID 81033462) is 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is ADDBBQYLSQDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-14-3-4-16(13-19-2)17(11-14)15-5-8-21-18(12-15)6-9-20-10-7-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).