N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

C17H31N3O — CID 116779838

IUPACN-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1(c2ncc(CNC(C)(C)C)[nH]2)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-6-21-17(9-7-13(2)8-10-17)15-18-11-14(20-15)12-19-16(3,4)5/h11,13,19H,6-10,12H2,1-5H3,(H,18,20)
InChIKeyUDJWOJYVBVYKMP-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116779838) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116779838
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCOC1(c2ncc(CNC(C)(C)C)[nH]2)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-6-21-17(9-7-13(2)8-10-17)15-18-11-14(20-15)12-19-16(3,4)5/h11,13,19H,6-10,12H2,1-5H3,(H,18,20)
InChIKeyUDJWOJYVBVYKMP-UHFFFAOYSA-N
XLogP3.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779851
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113432918
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778805
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 116777104

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 116779838) is N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CCOC1(c2ncc(CNC(C)(C)C)[nH]2)CCC(C)CC1.
What is the InChIKey of N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UDJWOJYVBVYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-21-17(9-7-13(2)8-10-17)15-18-11-14(20-15)12-19-16(3,4)5/h11,13,19H,6-10,12H2,1-5H3,(H,18,20).
What are the key properties of N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116779838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).