N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

C17H27N3O — CID 116778816

IUPACN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1ncc(CNC2CC2)cn1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-2-21-16(14-6-4-3-5-7-14)17-19-11-13(12-20-17)10-18-15-8-9-15/h11-12,14-16,18H,2-10H2,1H3
InChIKeyWVOSFWRVZHTLHC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds7

About N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 116778816) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID116778816
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCOC(c1ncc(CNC2CC2)cn1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-2-21-16(14-6-4-3-5-7-14)17-19-11-13(12-20-17)10-18-15-8-9-15/h11-12,14-16,18H,2-10H2,1H3
InChIKeyWVOSFWRVZHTLHC-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine (CID 116778816) is N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is CCOC(c1ncc(CNC2CC2)cn1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is WVOSFWRVZHTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-21-16(14-6-4-3-5-7-14)17-19-11-13(12-20-17)10-18-15-8-9-15/h11-12,14-16,18H,2-10H2,1H3.
What are the key properties of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116778816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).