N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine

C13H21N3 — CID 115893687

IUPACN-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
SMILESCCC(NC1C=CCCC1)c1cnn(C)c1
InChIInChI=1S/C13H21N3/c1-3-13(11-9-14-16(2)10-11)15-12-7-5-4-6-8-12/h5,7,9-10,12-13,15H,3-4,6,8H2,1-2H3
InChIKeyQVPJZLQKHHMDHE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.57
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine

N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine (PubChem CID 115893687) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
PubChem CID115893687
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine
SMILESCCC(NC1C=CCCC1)c1cnn(C)c1
InChIInChI=1S/C13H21N3/c1-3-13(11-9-14-16(2)10-11)15-12-7-5-4-6-8-12/h5,7,9-10,12-13,15H,3-4,6,8H2,1-2H3
InChIKeyQVPJZLQKHHMDHE-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 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 ≤ 52.57
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

N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
N-tert-butylsulfanyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 170449243
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
CID 115727790
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
CID 115920575
2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
CID 115896727
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
[3-cyclopentyl-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288733
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine (CID 115893687) is N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine is CCC(NC1C=CCCC1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine?
The InChIKey is QVPJZLQKHHMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-13(11-9-14-16(2)10-11)15-12-7-5-4-6-8-12/h5,7,9-10,12-13,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine?
N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)propyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 115893687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).