N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide

C14H20N2 — CID 53437439

IUPACN-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C14H20N2/c1-6-13(15)16(14(3,4)5)12-10-8-7-9-11(12)2/h6-10,15H,1H2,2-5H3/b15-13+
InChIKeyGNATWDWMQFWVTP-FYWRMAATSA-N
MW216.33 g/mol
LogP3.76
Rot. Bonds2

About N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide

N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide (PubChem CID 53437439) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide
PubChem CID53437439
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(c1ccccc1C)C(C)(C)C
InChIInChI=1S/C14H20N2/c1-6-13(15)16(14(3,4)5)12-10-8-7-9-11(12)2/h6-10,15H,1H2,2-5H3/b15-13+
InChIKeyGNATWDWMQFWVTP-FYWRMAATSA-N
XLogP3.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide?
The IUPAC name of N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide (CID 53437439) is N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide.
What is the SMILES notation for N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide?
The canonical SMILES for N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide is [H]/N=C(\C=C)N(c1ccccc1C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide?
The InChIKey is GNATWDWMQFWVTP-FYWRMAATSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-13(15)16(14(3,4)5)12-10-8-7-9-11(12)2/h6-10,15H,1H2,2-5H3/b15-13+.
What are the key properties of N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide?
N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide has a molecular weight of 216.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-methylphenyl)prop-2-enimidamide is sourced from PubChem (CID 53437439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).