N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine

C17H34N2O — CID 79853528

IUPACN-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
SMILESCCNC1C(CN(C)C2CCOCC2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-18-16-14(7-6-10-17(16,2)3)13-19(4)15-8-11-20-12-9-15/h14-16,18H,5-13H2,1-4H3
InChIKeyUFDBDZIAUBQRDK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds5

About N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine

N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine (PubChem CID 79853528) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
PubChem CID79853528
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine
SMILESCCNC1C(CN(C)C2CCOCC2)CCCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-18-16-14(7-6-10-17(16,2)3)13-19(4)15-8-11-20-12-9-15/h14-16,18H,5-13H2,1-4H3
InChIKeyUFDBDZIAUBQRDK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
2,2-dimethyl-5-[[methyl(oxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 79855271
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615
N-ethyl-6-[[ethyl(2-methylpropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853430
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 79842868
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 82953409
N-ethyl-2,2-dimethyl-6-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79842872
5-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl-methylamino]pentan-1-ol
CID 107204583

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine (CID 79853528) is N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine is CCNC1C(CN(C)C2CCOCC2)CCCC1(C)C.
What is the InChIKey of N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine?
The InChIKey is UFDBDZIAUBQRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-18-16-14(7-6-10-17(16,2)3)13-19(4)15-8-11-20-12-9-15/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine?
N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-3,3-dimethylcyclohexyl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 79853528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).