3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine

C16H31NO — CID 102848130

IUPAC3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine
SMILESCCC(C)(CC)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-15(3,5-2)17-13-14-9-12-16(18-14)10-7-6-8-11-16/h14,17H,4-13H2,1-3H3
InChIKeyQIOIXYXYLHMMBS-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds5

About 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine

3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine (PubChem CID 102848130) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine
PubChem CID102848130
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine
SMILESCCC(C)(CC)NCC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H31NO/c1-4-15(3,5-2)17-13-14-9-12-16(18-14)10-7-6-8-11-16/h14,17H,4-13H2,1-3H3
InChIKeyQIOIXYXYLHMMBS-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212497
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 106292007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine?
The IUPAC name of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine (CID 102848130) is 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine.
What is the SMILES notation for 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine?
The canonical SMILES for 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine is CCC(C)(CC)NCC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine?
The InChIKey is QIOIXYXYLHMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-15(3,5-2)17-13-14-9-12-16(18-14)10-7-6-8-11-16/h14,17H,4-13H2,1-3H3.
What are the key properties of 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine?
3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-3-amine is sourced from PubChem (CID 102848130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).