2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine

C14H23N3 — CID 113236761

IUPAC2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine
SMILESCC/N=C(\N)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C14H23N3/c1-4-16-13(15)17-14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H3,15,16,17)
InChIKeyXCMSOKCMHKMXHL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.32
Rot. Bonds5

About 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine

2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine (PubChem CID 113236761) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine
PubChem CID113236761
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine
SMILESCC/N=C(\N)NC(C)(C)CCc1ccccc1
InChIInChI=1S/C14H23N3/c1-4-16-13(15)17-14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H3,15,16,17)
InChIKeyXCMSOKCMHKMXHL-UHFFFAOYSA-N
XLogP2.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.32
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-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
CID 142171230
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine (CID 113236761) is 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine is CC/N=C(\N)NC(C)(C)CCc1ccccc1.
What is the InChIKey of 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine?
The InChIKey is XCMSOKCMHKMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-16-13(15)17-14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine?
2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine has a molecular weight of 233.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 113236761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).