[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine

C19H35NO — CID 102901865

IUPAC[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C19H35NO/c1-17(2)10-12-18(15-20,13-11-17)14-16-6-9-19(21-16)7-4-3-5-8-19/h16H,3-15,20H2,1-2H3
InChIKeyMWKMQZHLRJSOIE-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.80
Rot. Bonds3

About [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine

[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 102901865) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID102901865
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C19H35NO/c1-17(2)10-12-18(15-20,13-11-17)14-16-6-9-19(21-16)7-4-3-5-8-19/h16H,3-15,20H2,1-2H3
InChIKeyMWKMQZHLRJSOIE-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine with MolForge

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Related Compounds

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
2-(aminomethyl)-5,5-dimethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentan-1-ol
CID 102901878
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine (CID 102901865) is [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine is CC1(C)CCC(CN)(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is MWKMQZHLRJSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-17(2)10-12-18(15-20,13-11-17)14-16-6-9-19(21-16)7-4-3-5-8-19/h16H,3-15,20H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 293.49 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102901865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).