4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

C17H31NO — CID 79912522

IUPAC4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H31NO/c1-14-5-10-17(18,11-6-14)15-7-12-19-16(13-15)8-3-2-4-9-16/h14-15H,2-13,18H2,1H3
InChIKeyFPZBCFKEKKZDGD-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.02
Rot. Bonds1

About 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine

4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (PubChem CID 79912522) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
PubChem CID79912522
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H31NO/c1-14-5-10-17(18,11-6-14)15-7-12-19-16(13-15)8-3-2-4-9-16/h14-15H,2-13,18H2,1H3
InChIKeyFPZBCFKEKKZDGD-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
1-(2,2-dimethyloxan-4-yl)cyclopropan-1-amine
CID 83905727

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine (CID 79912522) is 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is CC1CCC(N)(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
The InChIKey is FPZBCFKEKKZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-5-10-17(18,11-6-14)15-7-12-19-16(13-15)8-3-2-4-9-16/h14-15H,2-13,18H2,1H3.
What are the key properties of 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine?
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 79912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).