1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

C18H36N6 — CID 110998731

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCCn1cc(C)cn1
InChIInChI=1S/C18H36N6/c1-6-23(7-2)12-8-10-17(4)22-18(19-5)20-11-9-13-24-15-16(3)14-21-24/h14-15,17H,6-13H2,1-5H3,(H2,19,20,22)
InChIKeyOPVGWQMWFVLXLC-UHFFFAOYSA-N
MW336.53 g/mol
LogP2.26
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (PubChem CID 110998731) has the molecular formula C18H36N6 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
PubChem CID110998731
Molecular FormulaC18H36N6
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCCCn1cc(C)cn1
InChIInChI=1S/C18H36N6/c1-6-23(7-2)12-8-10-17(4)22-18(19-5)20-11-9-13-24-15-16(3)14-21-24/h14-15,17H,6-13H2,1-5H3,(H2,19,20,22)
InChIKeyOPVGWQMWFVLXLC-UHFFFAOYSA-N
XLogP2.26
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(5-methylhexan-2-yl)-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111203428
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111509822
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 110998723
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine
CID 111343485
1-[5-(diethylamino)pentan-2-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110998971
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981238
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110999976
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
3-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110998835
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110998960
1-(3-butoxypropyl)-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111239125

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (CID 110998731) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCCCn1cc(C)cn1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The InChIKey is OPVGWQMWFVLXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6/c1-6-23(7-2)12-8-10-17(4)22-18(19-5)20-11-9-13-24-15-16(3)14-21-24/h14-15,17H,6-13H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine has a molecular weight of 336.53 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is sourced from PubChem (CID 110998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).