2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine

C14H29N3 — CID 111792061

IUPAC2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
SMILESCCCCCN/C(=N/CCCC1CC1)NCC
InChIInChI=1S/C14H29N3/c1-3-5-6-11-16-14(15-4-2)17-12-7-8-13-9-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyHZPQVDAZOWWTNL-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.92
Rot. Bonds9

About 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine

2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine (PubChem CID 111792061) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine.

Molecular Properties

Compound Name2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
PubChem CID111792061
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
SMILESCCCCCN/C(=N/CCCC1CC1)NCC
InChIInChI=1S/C14H29N3/c1-3-5-6-11-16-14(15-4-2)17-12-7-8-13-9-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyHZPQVDAZOWWTNL-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
1-ethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-pentylguanidine
CID 111129371
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 111946547
1-ethyl-3-hexyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111160875
1,2,3-trihexylguanidine
CID 173050322
2-(3-cyclohexylpropyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine
CID 111947469
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
N-[2-[[N'-(3-cyclohexylpropyl)-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928512
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-pentylguanidine
CID 111129521

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine?
The IUPAC name of 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine (CID 111792061) is 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine.
What is the SMILES notation for 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine?
The canonical SMILES for 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine is CCCCCN/C(=N/CCCC1CC1)NCC.
What is the InChIKey of 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine?
The InChIKey is HZPQVDAZOWWTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-5-6-11-16-14(15-4-2)17-12-7-8-13-9-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine?
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine is sourced from PubChem (CID 111792061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).