1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine

C13H23N3 — CID 105153281

IUPAC1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-4-6-7-8-12(14-10-5-2)13-9-11-15-16(13)3/h4,9,11-12,14H,1,5-8,10H2,2-3H3
InChIKeyYBYAPROBNOJIIK-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.82
Rot. Bonds8

About 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine

1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine (PubChem CID 105153281) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
PubChem CID105153281
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-4-6-7-8-12(14-10-5-2)13-9-11-15-16(13)3/h4,9,11-12,14H,1,5-8,10H2,2-3H3
InChIKeyYBYAPROBNOJIIK-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
CID 104986700
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine (CID 105153281) is 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine?
The InChIKey is YBYAPROBNOJIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-6-7-8-12(14-10-5-2)13-9-11-15-16(13)3/h4,9,11-12,14H,1,5-8,10H2,2-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine?
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 105153281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).