2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine

C15H32N4 — CID 111129457

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
SMILESCCCCCN/C(=N/CC(C)N(C)C1CC1)NCC
InChIInChI=1S/C15H32N4/c1-5-7-8-11-17-15(16-6-2)18-12-13(3)19(4)14-9-10-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyBSCFFITVCWGQSS-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.21
Rot. Bonds9

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine (PubChem CID 111129457) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
PubChem CID111129457
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
SMILESCCCCCN/C(=N/CC(C)N(C)C1CC1)NCC
InChIInChI=1S/C15H32N4/c1-5-7-8-11-17-15(16-6-2)18-12-13(3)19(4)14-9-10-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyBSCFFITVCWGQSS-UHFFFAOYSA-N
XLogP2.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[3-(cyclopropylmethoxy)propyl]-2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethylguanidine
CID 111393037
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111388026
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972703
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409631
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine
CID 111161967
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161966
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147229
1-ethyl-3-hexyl-2-(3-hydroxy-2-methylpropyl)guanidine;hydroiodide
CID 111161364
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973052

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine (CID 111129457) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine is CCCCCN/C(=N/CC(C)N(C)C1CC1)NCC.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine?
The InChIKey is BSCFFITVCWGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-5-7-8-11-17-15(16-6-2)18-12-13(3)19(4)14-9-10-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine has a molecular weight of 268.45 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine is sourced from PubChem (CID 111129457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).