1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine

C14H29NO — CID 116771723

IUPAC1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
SMILESCCNC(C(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-5-15-13(11(2)3)14(16-4)12-9-7-6-8-10-12/h11-15H,5-10H2,1-4H3
InChIKeyLSISBCADLYKPDI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine

1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine (PubChem CID 116771723) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
PubChem CID116771723
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
SMILESCCNC(C(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-5-15-13(11(2)3)14(16-4)12-9-7-6-8-10-12/h11-15H,5-10H2,1-4H3
InChIKeyLSISBCADLYKPDI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
CID 114013848
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
CID 116771903
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
CID 101013747
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine (CID 116771723) is 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine is CCNC(C(C)C)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine?
The InChIKey is LSISBCADLYKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15-13(11(2)3)14(16-4)12-9-7-6-8-10-12/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine?
1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116771723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).