1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C17H35NO2 — CID 103036111

IUPAC1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-18-15(11-14-16(3,4)19-5)17(20-7-2)12-9-8-10-13-17/h15,18H,6-14H2,1-5H3
InChIKeyATFDBAVVFQOABA-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.91
Rot. Bonds9

About 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103036111) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103036111
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(OCC)CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-18-15(11-14-16(3,4)19-5)17(20-7-2)12-9-8-10-13-17/h15,18H,6-14H2,1-5H3
InChIKeyATFDBAVVFQOABA-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.91
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
1-ethoxy-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031299
2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
CID 103031782
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
CID 103035628
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103036111) is 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is ATFDBAVVFQOABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-18-15(11-14-16(3,4)19-5)17(20-7-2)12-9-8-10-13-17/h15,18H,6-14H2,1-5H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103036111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).