N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide

C17H26N2 — CID 144794507

IUPACN'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESC=C(C)Cc1cc(C)c(/N=C/N(C)C(C)C)cc1C
InChIInChI=1S/C17H26N2/c1-12(2)8-16-9-15(6)17(10-14(16)5)18-11-19(7)13(3)4/h9-11,13H,1,8H2,2-7H3/b18-11+
InChIKeyGEJULRAAHWEDPM-WOJGMQOQSA-N
MW258.41 g/mol
LogP4.42
Rot. Bonds5

About N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide

N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide (PubChem CID 144794507) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
PubChem CID144794507
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESC=C(C)Cc1cc(C)c(/N=C/N(C)C(C)C)cc1C
InChIInChI=1S/C17H26N2/c1-12(2)8-16-9-15(6)17(10-14(16)5)18-11-19(7)13(3)4/h9-11,13H,1,8H2,2-7H3/b18-11+
InChIKeyGEJULRAAHWEDPM-WOJGMQOQSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide (CID 144794507) is N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide is C=C(C)Cc1cc(C)c(/N=C/N(C)C(C)C)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is GEJULRAAHWEDPM-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)8-16-9-15(6)17(10-14(16)5)18-11-19(7)13(3)4/h9-11,13H,1,8H2,2-7H3/b18-11+.
What are the key properties of N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 258.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 144794507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).