1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine

C18H37NO2 — CID 103036149

IUPAC1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO2/c1-6-19-16(13-14-18(3,4)20-5)17(21-7-2)15-11-9-8-10-12-15/h15-17,19H,6-14H2,1-5H3
InChIKeyHTIRXJRUGGVAAF-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.16
Rot. Bonds10

About 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine

1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103036149) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103036149
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO2/c1-6-19-16(13-14-18(3,4)20-5)17(21-7-2)15-11-9-8-10-12-15/h15-17,19H,6-14H2,1-5H3
InChIKeyHTIRXJRUGGVAAF-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028606
2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
CID 103031782
4-methoxy-N,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 103032441
2-ethoxy-6-methoxy-N,6-dimethylheptan-3-amine
CID 103035680
1-(4-ethylmorpholin-2-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035908
N-ethyl-4-methoxy-4-methyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 103035910
4-methoxy-4-methyl-N-propyl-1-(4-propylmorpholin-2-yl)pentan-1-amine
CID 103035911
N-ethyl-4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 103035914
4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
CID 103035915
4-methoxy-N,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 103035951
N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 103035952
4-methoxy-4-methyl-1-(2-methyloxan-2-yl)-N-propylpentan-1-amine
CID 103035953

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine (CID 103036149) is 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is HTIRXJRUGGVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-6-19-16(13-14-18(3,4)20-5)17(21-7-2)15-11-9-8-10-12-15/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine?
1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103036149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).