(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C19H35NO — CID 79910537

IUPAC(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCC1(C)CCC(C(N)C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C19H35NO/c1-18(2)11-6-15(7-12-18)17(20)16-8-13-21-19(14-16)9-4-3-5-10-19/h15-17H,3-14,20H2,1-2H3
InChIKeyQRXCLXPIXRPMNJ-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.66
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79910537) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79910537
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCC1(C)CCC(C(N)C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C19H35NO/c1-18(2)11-6-15(7-12-18)17(20)16-8-13-21-19(14-16)9-4-3-5-10-19/h15-17H,3-14,20H2,1-2H3
InChIKeyQRXCLXPIXRPMNJ-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 79910537) is (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CC1(C)CCC(C(N)C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is QRXCLXPIXRPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-18(2)11-6-15(7-12-18)17(20)16-8-13-21-19(14-16)9-4-3-5-10-19/h15-17H,3-14,20H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 293.49 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).