1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol

C16H29NO3 — CID 79903917

IUPAC1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H29NO3/c1-13-3-2-5-15(18,9-13)11-17-14-4-7-20-16(10-14)6-8-19-12-16/h13-14,17-18H,2-12H2,1H3
InChIKeyMCBMKKGEFALPBM-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.86
Rot. Bonds3

About 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol

1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 79903917) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID79903917
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H29NO3/c1-13-3-2-5-15(18,9-13)11-17-14-4-7-20-16(10-14)6-8-19-12-16/h13-14,17-18H,2-12H2,1H3
InChIKeyMCBMKKGEFALPBM-UHFFFAOYSA-N
XLogP1.86
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792
[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
CID 114756280
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
N-(2-methylsulfanylethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904121
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol (CID 79903917) is 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNC2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is MCBMKKGEFALPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-13-3-2-5-15(18,9-13)11-17-14-4-7-20-16(10-14)6-8-19-12-16/h13-14,17-18H,2-12H2,1H3.
What are the key properties of 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 79903917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).