3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine

C17H31NO — CID 79913343

IUPAC3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CCOC3(CCCC3)C2)CC1C
InChIInChI=1S/C17H31NO/c1-13-5-9-17(18,11-14(13)2)15-6-10-19-16(12-15)7-3-4-8-16/h13-15H,3-12,18H2,1-2H3
InChIKeyUKFUTZSBHTXARN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.88
Rot. Bonds1

About 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine

3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine (PubChem CID 79913343) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
PubChem CID79913343
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(C2CCOC3(CCCC3)C2)CC1C
InChIInChI=1S/C17H31NO/c1-13-5-9-17(18,11-14(13)2)15-6-10-19-16(12-15)7-3-4-8-16/h13-15H,3-12,18H2,1-2H3
InChIKeyUKFUTZSBHTXARN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
3,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913175
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)cyclopentan-1-amine
CID 79912406
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-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 81314576
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine (CID 79913343) is 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine is CC1CCC(N)(C2CCOC3(CCCC3)C2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
The InChIKey is UKFUTZSBHTXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13-5-9-17(18,11-14(13)2)15-6-10-19-16(12-15)7-3-4-8-16/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine?
3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine is sourced from PubChem (CID 79913343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).