N-benzyl-2,4-dimethylpentan-3-imine

C14H21N — CID 15160187

IUPACN-benzyl-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NCc1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)14(12(3)4)15-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyVUKRGPIQBGYAIG-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.94
Rot. Bonds4

About N-benzyl-2,4-dimethylpentan-3-imine

N-benzyl-2,4-dimethylpentan-3-imine (PubChem CID 15160187) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-benzyl-2,4-dimethylpentan-3-imine.

Molecular Properties

Compound NameN-benzyl-2,4-dimethylpentan-3-imine
PubChem CID15160187
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-benzyl-2,4-dimethylpentan-3-imine
SMILESCC(C)C(=NCc1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)14(12(3)4)15-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyVUKRGPIQBGYAIG-UHFFFAOYSA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
N-benzyl-1-propan-2-yloxypropan-2-imine
CID 167562432
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
2-[4-[(3-methylbutan-2-ylideneamino)methyl]phenyl]benzoic acid
CID 123673583
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
CID 100967764
N'-benzylpropanimidamide
CID 45122449
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
2-benzyl-1-butan-2-yl-1-methylguanidine
CID 130159853
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
2-benzyl-1-ethyl-3-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 110955032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethylpentan-3-imine?
The IUPAC name of N-benzyl-2,4-dimethylpentan-3-imine (CID 15160187) is N-benzyl-2,4-dimethylpentan-3-imine.
What is the SMILES notation for N-benzyl-2,4-dimethylpentan-3-imine?
The canonical SMILES for N-benzyl-2,4-dimethylpentan-3-imine is CC(C)C(=NCc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2,4-dimethylpentan-3-imine?
The InChIKey is VUKRGPIQBGYAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14(12(3)4)15-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of N-benzyl-2,4-dimethylpentan-3-imine?
N-benzyl-2,4-dimethylpentan-3-imine has a molecular weight of 203.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethylpentan-3-imine is sourced from PubChem (CID 15160187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).