N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C17H29N3O — CID 83186105

IUPACN-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC2CCCCC2CC)nc1C
InChIInChI=1S/C17H29N3O/c1-4-10-18-11-15-12-19-17(20-13(15)3)21-16-9-7-6-8-14(16)5-2/h12,14,16,18H,4-11H2,1-3H3
InChIKeyLNQDLFUJBOIEFV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.63
Rot. Bonds7

About N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83186105) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83186105
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OC2CCCCC2CC)nc1C
InChIInChI=1S/C17H29N3O/c1-4-10-18-11-15-12-19-17(20-13(15)3)21-16-9-7-6-8-14(16)5-2/h12,14,16,18H,4-11H2,1-3H3
InChIKeyLNQDLFUJBOIEFV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-4-methylpyrimidine
CID 83183729
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 62292114
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83189352

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 83186105) is N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(OC2CCCCC2CC)nc1C.
What is the InChIKey of N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is LNQDLFUJBOIEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-18-11-15-12-19-17(20-13(15)3)21-16-9-7-6-8-14(16)5-2/h12,14,16,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-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-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83186105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).