N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene

C20H36N2 — CID 158835356

IUPACN'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene
SMILESC/C(N)=N\CCCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C9H20N2/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-4-5-7-11-9(3)10/h4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyIXOHNPWVBPBVFD-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.38
Rot. Bonds7

About N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene

N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene (PubChem CID 158835356) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene.

Molecular Properties

Compound NameN'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene
PubChem CID158835356
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene
SMILESC/C(N)=N\CCCCC(C)C.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16.C9H20N2/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-4-5-7-11-9(3)10/h4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyIXOHNPWVBPBVFD-UHFFFAOYSA-N
XLogP5.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
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

2-(5-methylhexyl)guanidine;1-methyl-4-(2-methylpropyl)benzene;7-methyloctan-2-imine
CID 160531063
2-amino-6-(diaminomethylideneamino)-N-(3-methylbutyl)hexanamide;2,2-dimethylpropan-1-amine;3-methylbutan-1-amine;2-methylheptane;1-methyl-4-(2-methylpropyl)benzene;4-methylpentan-1-amine;2-(4-methylpentyl)guanidine;2-methylpropane
CID 160880971
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
2-[3-(4-methylphenyl)propyl]guanidine
CID 95436878
N-[6-(1-aminoethylideneamino)-2-oxohexan-3-yl]-2-methyl-3-(4-phenylphenyl)propanamide
CID 58871609
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
2-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]guanidine
CID 111814100
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene?
The IUPAC name of N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene (CID 158835356) is N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene.
What is the SMILES notation for N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene?
The canonical SMILES for N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene is C/C(N)=N\CCCCC(C)C.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene?
The InChIKey is IXOHNPWVBPBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C9H20N2/c1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)6-4-5-7-11-9(3)10/h4-7,9H,8H2,1-3H3;8H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene?
N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene has a molecular weight of 304.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylhexyl)ethanimidamide;1-methyl-4-(2-methylpropyl)benzene is sourced from PubChem (CID 158835356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).