1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine

C14H23N3 — CID 63012485

IUPAC1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
SMILESCC(Cc1ccccc1)/N=C(\N)NC(C)(C)C
InChIInChI=1S/C14H23N3/c1-11(10-12-8-6-5-7-9-12)16-13(15)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyKPAFLVKXLYRSMR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.32
Rot. Bonds3

About 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine

1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine (PubChem CID 63012485) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
PubChem CID63012485
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
SMILESCC(Cc1ccccc1)/N=C(\N)NC(C)(C)C
InChIInChI=1S/C14H23N3/c1-11(10-12-8-6-5-7-9-12)16-13(15)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H3,15,16,17)
InChIKeyKPAFLVKXLYRSMR-UHFFFAOYSA-N
XLogP2.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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

1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
CID 111799912
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
CID 63189528
N'-(1-phenylpropan-2-yl)cyclopentanecarboximidamide
CID 63181794
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
ethyl N-(1-phenylpropan-2-yl)benzenecarboximidate
CID 23330240
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-tert-butyl-3-[(2S)-3-hydroxy-1-phenylbutan-2-yl]thiourea
CID 86584431
azane;1-phenylpropan-2-amine
CID 67350534
1-tert-butyl-2-[1-(3-chlorophenyl)ethyl]guanidine
CID 62363103
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
N,N'-bis(1-phenylpropan-2-yl)methanediimine
CID 3704369
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine?
The IUPAC name of 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine (CID 63012485) is 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine is CC(Cc1ccccc1)/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine?
The InChIKey is KPAFLVKXLYRSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(10-12-8-6-5-7-9-12)16-13(15)17-14(2,3)4/h5-9,11H,10H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine?
1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine has a molecular weight of 233.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine is sourced from PubChem (CID 63012485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).