1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine

C17H35NO2 — CID 103036145

IUPAC1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(OC)C1CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-18-15(12-13-17(2,3)20-5)16(19-4)14-10-8-7-9-11-14/h14-16,18H,6-13H2,1-5H3
InChIKeyDGYLBLGIBRCJKN-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.77
Rot. Bonds9

About 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine

1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine (PubChem CID 103036145) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine
PubChem CID103036145
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine
SMILESCCNC(CCC(C)(C)OC)C(OC)C1CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-18-15(12-13-17(2,3)20-5)16(19-4)14-10-8-7-9-11-14/h14-16,18H,6-13H2,1-5H3
InChIKeyDGYLBLGIBRCJKN-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N,6-dimethylheptan-3-amine
CID 103031620
2,6-dimethoxy-6-methyl-N-propylheptan-3-amine
CID 103031782
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
N-ethyl-4-methoxy-1-(1-methoxycyclopentyl)-4-methylpentan-1-amine
CID 103036041
4-methoxy-1-(1-methoxycyclopentyl)-4-methyl-N-propylpentan-1-amine
CID 103036042
4-methoxy-1-(1-methoxycyclobutyl)-N,4-dimethylpentan-1-amine
CID 103036052
N-ethyl-4-methoxy-1-(1-methoxycyclobutyl)-4-methylpentan-1-amine
CID 103036053
3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036055
N-ethyl-3,7-dimethoxy-7-methyloctan-4-amine
CID 103036056
3-ethoxy-7-methoxy-N,7-dimethyloctan-4-amine
CID 103036058

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine (CID 103036145) is 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine is CCNC(CCC(C)(C)OC)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine?
The InChIKey is DGYLBLGIBRCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-18-15(12-13-17(2,3)20-5)16(19-4)14-10-8-7-9-11-14/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine?
1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103036145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).