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

C14H25N3O — CID 43663329

IUPAC3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCn1nccc1CNCCCOC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-17-13(8-10-16-17)12-15-9-5-11-18-14-6-3-2-4-7-14/h8,10,14-15H,2-7,9,11-12H2,1H3
InChIKeyKBIMEPPNIQKMRE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.25
Rot. Bonds7

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

3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 43663329) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID43663329
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCn1nccc1CNCCCOC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-17-13(8-10-16-17)12-15-9-5-11-18-14-6-3-2-4-7-14/h8,10,14-15H,2-7,9,11-12H2,1H3
InChIKeyKBIMEPPNIQKMRE-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-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
1-(3-cyclopentyloxypropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956442
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111576035
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103542534
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 43663329) is 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is Cn1nccc1CNCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is KBIMEPPNIQKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-13(8-10-16-17)12-15-9-5-11-18-14-6-3-2-4-7-14/h8,10,14-15H,2-7,9,11-12H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43663329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).