N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

C15H27NO2 — CID 79895785

IUPACN-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NCC1CCOC1)CCO2
InChIInChI=1S/C15H27NO2/c1-2-6-15(7-3-1)10-14(5-9-18-15)16-11-13-4-8-17-12-13/h13-14,16H,1-12H2
InChIKeyLLYOOEIJXJPVAO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895785) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895785
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NCC1CCOC1)CCO2
InChIInChI=1S/C15H27NO2/c1-2-6-15(7-3-1)10-14(5-9-18-15)16-11-13-4-8-17-12-13/h13-14,16H,1-12H2
InChIKeyLLYOOEIJXJPVAO-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79895785) is N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is C1CCC2(CC1)CC(NCC1CCOC1)CCO2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is LLYOOEIJXJPVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-6-15(7-3-1)10-14(5-9-18-15)16-11-13-4-8-17-12-13/h13-14,16H,1-12H2.
What are the key properties of N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).