1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

C17H34N6 — CID 111954299

IUPAC1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN(CC)C(CN/C(=N\C)NCc1ccnn1C)CC(C)C
InChIInChI=1S/C17H34N6/c1-7-23(8-2)16(11-14(3)4)13-20-17(18-5)19-12-15-9-10-21-22(15)6/h9-10,14,16H,7-8,11-13H2,1-6H3,(H2,18,19,20)
InChIKeyGSXIQXHZDDNPLG-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.84
Rot. Bonds9

About 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine

1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 111954299) has the molecular formula C17H34N6 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID111954299
Molecular FormulaC17H34N6
Molecular Weight322.50 g/mol
Exact Mass322.28
IUPAC Name1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN(CC)C(CN/C(=N\C)NCc1ccnn1C)CC(C)C
InChIInChI=1S/C17H34N6/c1-7-23(8-2)16(11-14(3)4)13-20-17(18-5)19-12-15-9-10-21-22(15)6/h9-10,14,16H,7-8,11-13H2,1-6H3,(H2,18,19,20)
InChIKeyGSXIQXHZDDNPLG-UHFFFAOYSA-N
XLogP1.84
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(diethylamino)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953511
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111953932
1-[2-(dimethylamino)-3-ethylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955537
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 111226466
1-(2,2-dicyclopropylethyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111691019
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111622603
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111953582
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954341
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111129525
2-methyl-1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954054
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111680494
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109409252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 111954299) is 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is CCN(CC)C(CN/C(=N\C)NCc1ccnn1C)CC(C)C.
What is the InChIKey of 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is GSXIQXHZDDNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6/c1-7-23(8-2)16(11-14(3)4)13-20-17(18-5)19-12-15-9-10-21-22(15)6/h9-10,14,16H,7-8,11-13H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 322.50 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-4-methylpentyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111954299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).