1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine

C14H29N3 — CID 111990629

IUPAC1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCC(CC)CC
InChIInChI=1S/C14H29N3/c1-5-8-12-9-13(12)17-14(15-4)16-10-11(6-2)7-3/h11-13H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyPWSAZRPXVMQMAI-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds7

About 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine

1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine (PubChem CID 111990629) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
PubChem CID111990629
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCC(CC)CC
InChIInChI=1S/C14H29N3/c1-5-8-12-9-13(12)17-14(15-4)16-10-11(6-2)7-3/h11-13H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyPWSAZRPXVMQMAI-UHFFFAOYSA-N
XLogP2.78
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713631
1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111713493
1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111547271
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-propylcyclopropyl)guanidine
CID 111713586
2-methyl-1-(3-phenoxypropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713555
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713494
2-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(2-propylcyclopropyl)guanidine
CID 111713768
1-butyl-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111778360
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111992501
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962357
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(2-ethylbutyl)-2-methylguanidine
CID 111891399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine (CID 111990629) is 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/C)NCC(CC)CC.
What is the InChIKey of 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The InChIKey is PWSAZRPXVMQMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-8-12-9-13(12)17-14(15-4)16-10-11(6-2)7-3/h11-13H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111990629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).