N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine

C17H31NO — CID 79903322

IUPACN-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC1(C)CCCCC1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-16(2)9-4-3-7-15(16)18-14-8-12-19-17(13-14)10-5-6-11-17/h14-15,18H,3-13H2,1-2H3
InChIKeyMHOKQZDHLJKSAJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine

N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79903322) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79903322
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC1(C)CCCCC1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-16(2)9-4-3-7-15(16)18-14-8-12-19-17(13-14)10-5-6-11-17/h14-15,18H,3-13H2,1-2H3
InChIKeyMHOKQZDHLJKSAJ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
CID 115977837
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-(1-methylcyclopentyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895072
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103921996
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine (CID 79903322) is N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine is CC1(C)CCCCC1NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is MHOKQZDHLJKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2)9-4-3-7-15(16)18-14-8-12-19-17(13-14)10-5-6-11-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).