N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide

C19H32N2 — CID 57182464

IUPACN'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide
SMILESCCCCCN(/C=N/c1ccc(C)c(C)c1)CCCCC
InChIInChI=1S/C19H32N2/c1-5-7-9-13-21(14-10-8-6-2)16-20-19-12-11-17(3)18(4)15-19/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+
InChIKeyAMNRFVDRBROSGR-CAPFRKAQSA-N
MW288.48 g/mol
LogP5.65
Rot. Bonds10

About N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide

N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide (PubChem CID 57182464) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide
PubChem CID57182464
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide
SMILESCCCCCN(/C=N/c1ccc(C)c(C)c1)CCCCC
InChIInChI=1S/C19H32N2/c1-5-7-9-13-21(14-10-8-6-2)16-20-19-12-11-17(3)18(4)15-19/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+
InChIKeyAMNRFVDRBROSGR-CAPFRKAQSA-N
XLogP5.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(3,4-dimethylphenyl)hentriacont-3-ene-1,2-diimine;palladium
CID 87910595
5-N,6-N-bis(3,4-dimethylphenyl)hentriacontane-5,6-diimine;palladium
CID 87911336
5-N,6-N-bis(3,4-dimethylphenyl)tetradecane-5,6-diimine;nickel
CID 87910762
5-N,6-N-bis(3,4-dimethylphenyl)pentatriacontane-5,6-diimine;nickel
CID 87875962
1-N-(3,4-dimethylphenyl)-2-N-(3,4-dipropylphenyl)octane-1,2-diimine;nickel
CID 87911667
3-N,4-N-bis(3,4-dimethylphenyl)octane-3,4-diimine;nickel
CID 87910922
(E)-5-N,6-N-bis(3,4-dimethylphenyl)docos-7-ene-5,6-diimine
CID 87912051
N-methyl-N'-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-N-propylmethanimidamide
CID 139453832
N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane
CID 162381464
1,2-dimethyl-4-octylbenzene
CID 14044616
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel
CID 87874872

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide (CID 57182464) is N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide is CCCCCN(/C=N/c1ccc(C)c(C)c1)CCCCC.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide?
The InChIKey is AMNRFVDRBROSGR-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-7-9-13-21(14-10-8-6-2)16-20-19-12-11-17(3)18(4)15-19/h11-12,15-16H,5-10,13-14H2,1-4H3/b20-16+.
What are the key properties of N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide?
N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide has a molecular weight of 288.48 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N,N-dipentylmethanimidamide is sourced from PubChem (CID 57182464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).