N-methyl-N-[(4-methylphenyl)methyl]butanimidamide

C13H20N2 — CID 63175757

IUPACN-methyl-N-[(4-methylphenyl)methyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C13H20N2/c1-4-5-13(14)15(3)10-12-8-6-11(2)7-9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13+
InChIKeyCNBVRFBVUHDJLQ-BUHFOSPRSA-N
MW204.32 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-[(4-methylphenyl)methyl]butanimidamide

N-methyl-N-[(4-methylphenyl)methyl]butanimidamide (PubChem CID 63175757) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]butanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]butanimidamide
PubChem CID63175757
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]butanimidamide
SMILES[H]/N=C(\CCC)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C13H20N2/c1-4-5-13(14)15(3)10-12-8-6-11(2)7-9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13+
InChIKeyCNBVRFBVUHDJLQ-BUHFOSPRSA-N
XLogP3.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.20
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-methyl-N-[(4-methylphenyl)methyl]butanimidamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]butanimidamide (CID 63175757) is N-methyl-N-[(4-methylphenyl)methyl]butanimidamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]butanimidamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]butanimidamide is [H]/N=C(\CCC)N(C)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]butanimidamide?
The InChIKey is CNBVRFBVUHDJLQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-5-13(14)15(3)10-12-8-6-11(2)7-9-12/h6-9,14H,4-5,10H2,1-3H3/b14-13+.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]butanimidamide?
N-methyl-N-[(4-methylphenyl)methyl]butanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]butanimidamide is sourced from PubChem (CID 63175757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).