2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol

C14H27NO3 — CID 79903083

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-11(2)13(10-16)15-12-3-6-18-14(9-12)4-7-17-8-5-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyDXEYERAHAZHZCE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds4

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol (PubChem CID 79903083) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
PubChem CID79903083
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-11(2)13(10-16)15-12-3-6-18-14(9-12)4-7-17-8-5-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyDXEYERAHAZHZCE-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
N-(1-methylsulfanylpropan-2-yl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 113472784
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-2-ethylbutan-1-ol
CID 79904099
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol (CID 79903083) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol?
The InChIKey is DXEYERAHAZHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)13(10-16)15-12-3-6-18-14(9-12)4-7-17-8-5-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).