1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine

C13H21N3 — CID 116661199

IUPAC1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)CC2=CCCCC2)cn1
InChIInChI=1S/C13H21N3/c1-16-10-12(9-15-16)8-13(14)7-11-5-3-2-4-6-11/h5,9-10,13H,2-4,6-8,14H2,1H3
InChIKeyQXCDEKBWQJKNGA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine

1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 116661199) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID116661199
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)CC2=CCCCC2)cn1
InChIInChI=1S/C13H21N3/c1-16-10-12(9-15-16)8-13(14)7-11-5-3-2-4-6-11/h5,9-10,13H,2-4,6-8,14H2,1H3
InChIKeyQXCDEKBWQJKNGA-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(cyclohexen-1-yl)-3-(furan-3-yl)propan-2-amine
CID 116661188
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
1-(cyclohexen-1-yl)-3-(3,5-difluorophenyl)propan-2-amine
CID 105406982
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
1-(cyclohexen-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 116661135
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 116661199) is 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine is Cn1cc(CC(N)CC2=CCCCC2)cn1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is QXCDEKBWQJKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-10-12(9-15-16)8-13(14)7-11-5-3-2-4-6-11/h5,9-10,13H,2-4,6-8,14H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 116661199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).