N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine

C14H23N3 — CID 103019344

IUPACN-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)CCc1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-12(4-3-9-15-14-7-8-14)5-6-13-10-16-17(2)11-13/h4,10-11,14-15H,3,5-9H2,1-2H3
InChIKeyOBXMGBSEMJRPKP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.44
Rot. Bonds7

About N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine

N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine (PubChem CID 103019344) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
PubChem CID103019344
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)CCc1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-12(4-3-9-15-14-7-8-14)5-6-13-10-16-17(2)11-13/h4,10-11,14-15H,3,5-9H2,1-2H3
InChIKeyOBXMGBSEMJRPKP-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.44
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

N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
CID 79597866
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
CID 79590615
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentyl]methyl]cyclopropanamine
CID 103019932
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine (CID 103019344) is N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)CCc1cnn(C)c1.
What is the InChIKey of N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine?
The InChIKey is OBXMGBSEMJRPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(4-3-9-15-14-7-8-14)5-6-13-10-16-17(2)11-13/h4,10-11,14-15H,3,5-9H2,1-2H3.
What are the key properties of N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine?
N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine has a molecular weight of 233.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine is sourced from PubChem (CID 103019344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).