N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine

C18H33NO — CID 79897645

IUPACN-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC(NC2CCOC3(CCCCC3)C2)C1C
InChIInChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-16-9-12-20-18(13-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyCYGVNZPEXRVPKD-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79897645) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79897645
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCC1CCCC(NC2CCOC3(CCCCC3)C2)C1C
InChIInChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-16-9-12-20-18(13-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3
InChIKeyCYGVNZPEXRVPKD-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-[(2-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 107418106
N-(3,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 80693580
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine (CID 79897645) is N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine is CC1CCCC(NC2CCOC3(CCCCC3)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is CYGVNZPEXRVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-7-6-8-17(15(14)2)19-16-9-12-20-18(13-16)10-4-3-5-11-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79897645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).