1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine

C19H29N5O — CID 111179665

IUPAC1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
SMILESCCCc1noc(-c2cccc(C/N=C(\NCC)NCC(C)C)c2)n1
InChIInChI=1S/C19H29N5O/c1-5-8-17-23-18(25-24-17)16-10-7-9-15(11-16)13-22-19(20-6-2)21-12-14(3)4/h7,9-11,14H,5-6,8,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyBVMBTWKKLHMVJV-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.40
Rot. Bonds8

About 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine

1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine (PubChem CID 111179665) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
PubChem CID111179665
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
SMILESCCCc1noc(-c2cccc(C/N=C(\NCC)NCC(C)C)c2)n1
InChIInChI=1S/C19H29N5O/c1-5-8-17-23-18(25-24-17)16-10-7-9-15(11-16)13-22-19(20-6-2)21-12-14(3)4/h7,9-11,14H,5-6,8,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyBVMBTWKKLHMVJV-UHFFFAOYSA-N
XLogP3.40
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.40
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-butyl-3-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111150918
1-butyl-3-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 111150917
2-methyl-1-(2-methylpropyl)-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111179144
1-ethyl-3-(2-methoxyethyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 110941325
1-ethyl-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906343
3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111179415
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 111180513
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine
CID 111587225
2-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180678
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178913
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine;hydroiodide
CID 109410124
N-[3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111178511

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine (CID 111179665) is 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine is CCCc1noc(-c2cccc(C/N=C(\NCC)NCC(C)C)c2)n1.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine?
The InChIKey is BVMBTWKKLHMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-5-8-17-23-18(25-24-17)16-10-7-9-15(11-16)13-22-19(20-6-2)21-12-14(3)4/h7,9-11,14H,5-6,8,12-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine?
1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine has a molecular weight of 343.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-2-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]guanidine is sourced from PubChem (CID 111179665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).