N'-(4-phenylbutan-2-yl)butanimidamide

C14H22N2 — CID 62048860

IUPACN'-(4-phenylbutan-2-yl)butanimidamide
SMILESCCC/C(N)=N\C(C)CCc1ccccc1
InChIInChI=1S/C14H22N2/c1-3-7-14(15)16-12(2)10-11-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16)
InChIKeyDCEUBXVMEWTUTM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.16
Rot. Bonds6

About N'-(4-phenylbutan-2-yl)butanimidamide

N'-(4-phenylbutan-2-yl)butanimidamide (PubChem CID 62048860) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(4-phenylbutan-2-yl)butanimidamide.

Molecular Properties

Compound NameN'-(4-phenylbutan-2-yl)butanimidamide
PubChem CID62048860
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(4-phenylbutan-2-yl)butanimidamide
SMILESCCC/C(N)=N\C(C)CCc1ccccc1
InChIInChI=1S/C14H22N2/c1-3-7-14(15)16-12(2)10-11-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16)
InChIKeyDCEUBXVMEWTUTM-UHFFFAOYSA-N
XLogP3.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-(4-phenylbutan-2-yl)guanidine
CID 14088265
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
3-azidobutylbenzene
CID 11805255
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2S)-4-phenylbutan-2-amine
CID 6994564
(3R)-1-phenylhexan-3-amine
CID 66612996
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
3-methyl-5-phenylpentanamide
CID 66761020
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
acetamide;propylbenzene
CID 142238516
3,4-dimethylhexylbenzene
CID 72602417
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylbutan-2-yl)butanimidamide?
The IUPAC name of N'-(4-phenylbutan-2-yl)butanimidamide (CID 62048860) is N'-(4-phenylbutan-2-yl)butanimidamide.
What is the SMILES notation for N'-(4-phenylbutan-2-yl)butanimidamide?
The canonical SMILES for N'-(4-phenylbutan-2-yl)butanimidamide is CCC/C(N)=N\C(C)CCc1ccccc1.
What is the InChIKey of N'-(4-phenylbutan-2-yl)butanimidamide?
The InChIKey is DCEUBXVMEWTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-7-14(15)16-12(2)10-11-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-(4-phenylbutan-2-yl)butanimidamide?
N'-(4-phenylbutan-2-yl)butanimidamide has a molecular weight of 218.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylbutan-2-yl)butanimidamide is sourced from PubChem (CID 62048860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).