N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

C14H25NO2 — CID 79903433

IUPACN-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2(C1)CC(NCC1CCOCC1)CCO2
InChIInChI=1S/C14H25NO2/c1-5-14(6-1)10-13(4-9-17-14)15-11-12-2-7-16-8-3-12/h12-13,15H,1-11H2
InChIKeyQXJHVIUJDBXIKW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine

N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79903433) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79903433
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESC1CC2(C1)CC(NCC1CCOCC1)CCO2
InChIInChI=1S/C14H25NO2/c1-5-14(6-1)10-13(4-9-17-14)15-11-12-2-7-16-8-3-12/h12-13,15H,1-11H2
InChIKeyQXJHVIUJDBXIKW-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)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
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
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
N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895751
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79903433) is N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine is C1CC2(C1)CC(NCC1CCOCC1)CCO2.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is QXJHVIUJDBXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-14(6-1)10-13(4-9-17-14)15-11-12-2-7-16-8-3-12/h12-13,15H,1-11H2.
What are the key properties of N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-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-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79903433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).