N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine

C14H25NO2 — CID 79895641

IUPACN-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESC1CCC2(C1)CC(NCC1CCOC1)CCO2
InChIInChI=1S/C14H25NO2/c1-2-6-14(5-1)9-13(4-8-17-14)15-10-12-3-7-16-11-12/h12-13,15H,1-11H2
InChIKeyHCMPVUPCCHESBW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine

N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895641) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895641
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
SMILESC1CCC2(C1)CC(NCC1CCOC1)CCO2
InChIInChI=1S/C14H25NO2/c1-2-6-14(5-1)9-13(4-8-17-14)15-10-12-3-7-16-11-12/h12-13,15H,1-11H2
InChIKeyHCMPVUPCCHESBW-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
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
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503
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
(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
3-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclopentan-1-ol
CID 106130055
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine (CID 79895641) is N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine is C1CCC2(C1)CC(NCC1CCOC1)CCO2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is HCMPVUPCCHESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-6-14(5-1)9-13(4-8-17-14)15-10-12-3-7-16-11-12/h12-13,15H,1-11H2.
What are the key properties of N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine?
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 239.36 g/mol, XLogP of 2.10, 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)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).