N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine

C20H37NO — CID 14303359

IUPACN-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC2(CCC(CNC3CCCCC3)O2)CC1
InChIInChI=1S/C20H37NO/c1-19(2,3)16-9-12-20(13-10-16)14-11-18(22-20)15-21-17-7-5-4-6-8-17/h16-18,21H,4-15H2,1-3H3
InChIKeyAKADLFXTNRDYAQ-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.06
Rot. Bonds3

About N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine

N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine (PubChem CID 14303359) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine
PubChem CID14303359
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC2(CCC(CNC3CCCCC3)O2)CC1
InChIInChI=1S/C20H37NO/c1-19(2,3)16-9-12-20(13-10-16)14-11-18(22-20)15-21-17-7-5-4-6-8-17/h16-18,21H,4-15H2,1-3H3
InChIKeyAKADLFXTNRDYAQ-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine (CID 14303359) is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine is CC(C)(C)C1CCC2(CCC(CNC3CCCCC3)O2)CC1.
What is the InChIKey of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine?
The InChIKey is AKADLFXTNRDYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-19(2,3)16-9-12-20(13-10-16)14-11-18(22-20)15-21-17-7-5-4-6-8-17/h16-18,21H,4-15H2,1-3H3.
What are the key properties of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine?
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine has a molecular weight of 307.52 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 14303359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).