cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine

C16H29NO2 — CID 79914524

IUPACcyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h13-15H,1-12,17H2
InChIKeyRNNWNMOBHZLTFD-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.87
Rot. Bonds2

About cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine

cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79914524) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79914524
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namecyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
SMILESNC(C1CCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H29NO2/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h13-15H,1-12,17H2
InChIKeyRNNWNMOBHZLTFD-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 80610523
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine (CID 79914524) is cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine is NC(C1CCCCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is RNNWNMOBHZLTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c17-15(13-4-2-1-3-5-13)14-6-9-19-16(12-14)7-10-18-11-8-16/h13-15H,1-12,17H2.
What are the key properties of cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine?
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79914524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).