3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine

C14H23N3O — CID 55110056

IUPAC3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-5-14(6-3-1)18-10-4-8-15-11-13-7-9-16-12-17-13/h7,9,12,14-15H,1-6,8,10-11H2
InChIKeyMDRJETACUGXWQV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.31
Rot. Bonds7

About 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine

3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 55110056) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID55110056
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-2-5-14(6-3-1)18-10-4-8-15-11-13-7-9-16-12-17-13/h7,9,12,14-15H,1-6,8,10-11H2
InChIKeyMDRJETACUGXWQV-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.31
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-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 55110056) is 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine is c1cc(CNCCCOC2CCCCC2)ncn1.
What is the InChIKey of 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is MDRJETACUGXWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-5-14(6-3-1)18-10-4-8-15-11-13-7-9-16-12-17-13/h7,9,12,14-15H,1-6,8,10-11H2.
What are the key properties of 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine?
3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 55110056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).