N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine

C17H33NO — CID 82759904

IUPACN-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC2CC(C)CC(C)C2)CCO1
InChIInChI=1S/C17H33NO/c1-5-17(6-2)12-15(7-8-19-17)18-16-10-13(3)9-14(4)11-16/h13-16,18H,5-12H2,1-4H3
InChIKeyLXFZHHOEBPPQHD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine

N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine (PubChem CID 82759904) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
PubChem CID82759904
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC2CC(C)CC(C)C2)CCO1
InChIInChI=1S/C17H33NO/c1-5-17(6-2)12-15(7-8-19-17)18-16-10-13(3)9-14(4)11-16/h13-16,18H,5-12H2,1-4H3
InChIKeyLXFZHHOEBPPQHD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
2,2-diethyl-N-(3-ethylcyclohexyl)oxan-4-amine
CID 82760225
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914620
2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
CID 115897076
N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
CID 114424424
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
2-amino-N-(2,2-diethyloxan-4-yl)-5-methylcyclohexane-1-carboxamide
CID 83035895

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine (CID 82759904) is N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NC2CC(C)CC(C)C2)CCO1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine?
The InChIKey is LXFZHHOEBPPQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-17(6-2)12-15(7-8-19-17)18-16-10-13(3)9-14(4)11-16/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine?
N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 82759904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).