2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine

C18H33NO — CID 102896724

IUPAC2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC2CCC3(CCCCC3)O2)C1C
InChIInChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-13-16-9-12-18(20-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyRQALGNZNHCYAMD-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds3

About 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine

2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102896724) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
PubChem CID102896724
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC2CCC3(CCCCC3)O2)C1C
InChIInChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-13-16-9-12-18(20-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyRQALGNZNHCYAMD-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine (CID 102896724) is 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine is CC1CCCC(NCC2CCC3(CCCCC3)O2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is RQALGNZNHCYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-13-16-9-12-18(20-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine?
2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102896724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).