2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol

C14H25NO3 — CID 114756280

IUPAC2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H25NO3/c16-6-4-13(2-3-13)10-15-12-1-7-18-14(9-12)5-8-17-11-14/h12,15-16H,1-11H2
InChIKeyHMZFUILHMBBVGV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114756280) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114756280
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H25NO3/c16-6-4-13(2-3-13)10-15-12-1-7-18-14(9-12)5-8-17-11-14/h12,15-16H,1-11H2
InChIKeyHMZFUILHMBBVGV-UHFFFAOYSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopentyl]methanol
CID 115359651
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 79903917
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
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
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol (CID 114756280) is 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol is OCCC1(CNC2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is HMZFUILHMBBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-6-4-13(2-3-13)10-15-12-1-7-18-14(9-12)5-8-17-11-14/h12,15-16H,1-11H2.
What are the key properties of 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 255.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-dioxaspiro[4.5]decan-9-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).