2-(4-phenylbutan-2-yl)guanidine

C11H17N3 — CID 14088265

IUPAC2-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N=C(N)N
InChIInChI=1S/C11H17N3/c1-9(14-11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,12,13,14)
InChIKeyTTXDSHGFQDYPFG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-phenylbutan-2-yl)guanidine

2-(4-phenylbutan-2-yl)guanidine (PubChem CID 14088265) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-phenylbutan-2-yl)guanidine
PubChem CID14088265
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(4-phenylbutan-2-yl)guanidine
SMILESCC(CCc1ccccc1)N=C(N)N
InChIInChI=1S/C11H17N3/c1-9(14-11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,12,13,14)
InChIKeyTTXDSHGFQDYPFG-UHFFFAOYSA-N
XLogP1.28
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.28
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

N'-(4-phenylbutan-2-yl)butanimidamide
CID 62048860
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
(2S)-4-phenylbutan-2-amine
CID 6994564
3-azidobutylbenzene
CID 11805255
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
3-methyl-5-phenylpentanamide
CID 66761020
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
ethene;3-methylbutylbenzene
CID 145421013
(2R)-4-phenylbutane-2-thiol
CID 28974861

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-(4-phenylbutan-2-yl)guanidine (CID 14088265) is 2-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-(4-phenylbutan-2-yl)guanidine is CC(CCc1ccccc1)N=C(N)N.
What is the InChIKey of 2-(4-phenylbutan-2-yl)guanidine?
The InChIKey is TTXDSHGFQDYPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(14-11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,12,13,14).
What are the key properties of 2-(4-phenylbutan-2-yl)guanidine?
2-(4-phenylbutan-2-yl)guanidine has a molecular weight of 191.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 14088265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).