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

C14H25N3O — CID 28720311

IUPAC3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCOC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-17-12-13(11-16-17)10-15-8-5-9-18-14-6-3-2-4-7-14/h11-12,14-15H,2-10H2,1H3
InChIKeyCONOFZXBVUFKOA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.25
Rot. Bonds7

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

3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 28720311) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID28720311
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCOC2CCCCC2)cn1
InChIInChI=1S/C14H25N3O/c1-17-12-13(11-16-17)10-15-8-5-9-18-14-6-3-2-4-7-14/h11-12,14-15H,2-10H2,1H3
InChIKeyCONOFZXBVUFKOA-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.25
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

2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 28720311) is 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is Cn1cc(CNCCCOC2CCCCC2)cn1.
What is the InChIKey of 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is CONOFZXBVUFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-12-13(11-16-17)10-15-8-5-9-18-14-6-3-2-4-7-14/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28720311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).