N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine

C17H27N3O — CID 116778805

IUPACN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCOC1(c2ncc(CNC3CC3)cn2)CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-3-21-17(8-6-13(2)7-9-17)16-19-11-14(12-20-16)10-18-15-4-5-15/h11-13,15,18H,3-10H2,1-2H3
InChIKeyFTBHVIKYOABXAN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 116778805) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID116778805
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCOC1(c2ncc(CNC3CC3)cn2)CCC(C)CC1
InChIInChI=1S/C17H27N3O/c1-3-21-17(8-6-13(2)7-9-17)16-19-11-14(12-20-16)10-18-15-4-5-15/h11-13,15,18H,3-10H2,1-2H3
InChIKeyFTBHVIKYOABXAN-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 116777104
2-(1-ethoxy-4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 116776078
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 116779223
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 116742319
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780801
N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779838

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 116778805) is N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine is CCOC1(c2ncc(CNC3CC3)cn2)CCC(C)CC1.
What is the InChIKey of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is FTBHVIKYOABXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-21-17(8-6-13(2)7-9-17)16-19-11-14(12-20-16)10-18-15-4-5-15/h11-13,15,18H,3-10H2,1-2H3.
What are the key properties of N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116778805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).