2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine

C14H25N3 — CID 60762679

IUPAC2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCc1[nH]ncc1CCCNC1CCCCC1C
InChIInChI=1S/C14H25N3/c1-11-6-3-4-8-14(11)15-9-5-7-13-10-16-17-12(13)2/h10-11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyXURMGBOZHLVLOI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine

2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine (PubChem CID 60762679) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
PubChem CID60762679
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
SMILESCc1[nH]ncc1CCCNC1CCCCC1C
InChIInChI=1S/C14H25N3/c1-11-6-3-4-8-14(11)15-9-5-7-13-10-16-17-12(13)2/h10-11,14-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyXURMGBOZHLVLOI-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine (CID 60762679) is 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine is Cc1[nH]ncc1CCCNC1CCCCC1C.
What is the InChIKey of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
The InChIKey is XURMGBOZHLVLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-6-3-4-8-14(11)15-9-5-7-13-10-16-17-12(13)2/h10-11,14-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine?
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 60762679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).