(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

C18H33NOS — CID 79910538

IUPAC(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCC1(C)CCC(C(N)C2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C18H33NOS/c1-17(2)6-3-14(4-7-17)16(19)15-5-10-20-18(13-15)8-11-21-12-9-18/h14-16H,3-13,19H2,1-2H3
InChIKeyUZPIXIVUICHULT-UHFFFAOYSA-N
MW311.53 g/mol
LogP4.22
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine

(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79910538) has the molecular formula C18H33NOS and a molecular weight of 311.53 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79910538
Molecular FormulaC18H33NOS
Molecular Weight311.53 g/mol
Exact Mass311.23
IUPAC Name(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
SMILESCC1(C)CCC(C(N)C2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C18H33NOS/c1-17(2)6-3-14(4-7-17)16(19)15-5-10-20-18(13-15)8-11-21-12-9-18/h14-16H,3-13,19H2,1-2H3
InChIKeyUZPIXIVUICHULT-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
3-bicyclo[3.1.0]hexanyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018043
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040
(2-methyloxolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017875
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine (CID 79910538) is (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is CC1(C)CCC(C(N)C2CCOC3(CCSCC3)C2)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is UZPIXIVUICHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-17(2)6-3-14(4-7-17)16(19)15-5-10-20-18(13-15)8-11-21-12-9-18/h14-16H,3-13,19H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine?
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 311.53 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79910538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).