[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol

C17H31NO3 — CID 79899613

IUPAC[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H31NO3/c1-14-2-5-16(13-19,6-3-14)18-15-4-9-21-17(12-15)7-10-20-11-8-17/h14-15,18-19H,2-13H2,1H3
InChIKeyPCLKIGZSMCGKJH-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.25
Rot. Bonds3

About [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol

[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol (PubChem CID 79899613) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
PubChem CID79899613
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C17H31NO3/c1-14-2-5-16(13-19,6-3-14)18-15-4-9-21-17(12-15)7-10-20-11-8-17/h14-15,18-19H,2-13H2,1H3
InChIKeyPCLKIGZSMCGKJH-UHFFFAOYSA-N
XLogP2.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
CID 103922946
[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
CID 64753014
1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
CID 81167826
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682

Frequently Asked Questions

What is the IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol (CID 79899613) is [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NC2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol?
The InChIKey is PCLKIGZSMCGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14-2-5-16(13-19,6-3-14)18-15-4-9-21-17(12-15)7-10-20-11-8-17/h14-15,18-19H,2-13H2,1H3.
What are the key properties of [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol?
[1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol has a molecular weight of 297.44 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 79899613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).