4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol

C16H29NO2 — CID 106133298

IUPAC4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C16H29NO2/c18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-1-2-9-16/h13-15,17-18H,1-12H2
InChIKeyVHVBOQPACCAYHZ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.62
Rot. Bonds3

About 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol

4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106133298) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
PubChem CID106133298
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C16H29NO2/c18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-1-2-9-16/h13-15,17-18H,1-12H2
InChIKeyVHVBOQPACCAYHZ-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol (CID 106133298) is 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol is OC1CCC(CNC2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is VHVBOQPACCAYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-15-5-3-13(4-6-15)12-17-14-7-10-19-16(11-14)8-1-2-9-16/h13-15,17-18H,1-12H2.
What are the key properties of 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol?
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).