3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine

C15H25N3O — CID 62747142

IUPAC3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCc1nccc(CNCCCOC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-13-17-10-8-14(18-13)12-16-9-5-11-19-15-6-3-2-4-7-15/h8,10,15-16H,2-7,9,11-12H2,1H3
InChIKeyDYAZAFFXKNBHRT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds7

About 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 62747142) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID62747142
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCc1nccc(CNCCCOC2CCCCC2)n1
InChIInChI=1S/C15H25N3O/c1-13-17-10-8-14(18-13)12-16-9-5-11-19-15-6-3-2-4-7-15/h8,10,15-16H,2-7,9,11-12H2,1H3
InChIKeyDYAZAFFXKNBHRT-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 62747142) is 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine is Cc1nccc(CNCCCOC2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is DYAZAFFXKNBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-17-10-8-14(18-13)12-16-9-5-11-19-15-6-3-2-4-7-15/h8,10,15-16H,2-7,9,11-12H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62747142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).