N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine

C17H29N3O — CID 116778533

IUPACN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
SMILESCCOC(c1nccc(CNC(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-21-16(14-8-6-5-7-9-14)17-18-11-10-15(20-17)12-19-13(2)3/h10-11,13-14,16,19H,4-9,12H2,1-3H3
InChIKeyPOTLQPFLHDMXCB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.63
Rot. Bonds7

About N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 116778533) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID116778533
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
SMILESCCOC(c1nccc(CNC(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-4-21-16(14-8-6-5-7-9-14)17-18-11-10-15(20-17)12-19-13(2)3/h10-11,13-14,16,19H,4-9,12H2,1-3H3
InChIKeyPOTLQPFLHDMXCB-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.63
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-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine (CID 116778533) is N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine is CCOC(c1nccc(CNC(C)C)n1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is POTLQPFLHDMXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-21-16(14-8-6-5-7-9-14)17-18-11-10-15(20-17)12-19-13(2)3/h10-11,13-14,16,19H,4-9,12H2,1-3H3.
What are the key properties of N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.63, 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-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116778533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).