N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine

C16H33NO2 — CID 106667112

IUPACN-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCC(C)(C)OC)CCC(C)CC1
InChIInChI=1S/C16H33NO2/c1-6-17-13-16(9-7-14(2)8-10-16)19-12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyNCALOXWAMSVVDG-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.38
Rot. Bonds8

About N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine

N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 106667112) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID106667112
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCC(C)(C)OC)CCC(C)CC1
InChIInChI=1S/C16H33NO2/c1-6-17-13-16(9-7-14(2)8-10-16)19-12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyNCALOXWAMSVVDG-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methanamine
CID 103032500
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
CID 115942646
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 106204886
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 55214893
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine (CID 106667112) is N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1(OCCC(C)(C)OC)CCC(C)CC1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is NCALOXWAMSVVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-17-13-16(9-7-14(2)8-10-16)19-12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine?
N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 271.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106667112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).