N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C16H30N2O — CID 107163812

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCN1CCC(C)(CNC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-15(7-9-18(2)10-8-15)13-17-14-4-11-19-16(12-14)5-3-6-16/h14,17H,3-13H2,1-2H3
InChIKeyBZYYJLXCLXAFNX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 107163812) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID107163812
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESCN1CCC(C)(CNC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-15(7-9-18(2)10-8-15)13-17-14-4-11-19-16(12-14)5-3-6-16/h14,17H,3-13H2,1-2H3
InChIKeyBZYYJLXCLXAFNX-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 107163672
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-[(4-methylmorpholin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903156
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 106025437
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]oxan-4-ol
CID 81130792

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 107163812) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is CN1CCC(C)(CNC2CCOC3(CCC3)C2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is BZYYJLXCLXAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(7-9-18(2)10-8-15)13-17-14-4-11-19-16(12-14)5-3-6-16/h14,17H,3-13H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 107163812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).