2-[methyl(4-methylpentyl)amino]benzenecarboximidamide

C14H23N3 — CID 83157429

IUPAC2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CCCC(C)C
InChIInChI=1S/C14H23N3/c1-11(2)7-6-10-17(3)13-9-5-4-8-12(13)14(15)16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H3,15,16)
InChIKeyRCOKLVJBOJYHSB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.84
Rot. Bonds6

About 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide

2-[methyl(4-methylpentyl)amino]benzenecarboximidamide (PubChem CID 83157429) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
PubChem CID83157429
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)CCCC(C)C
InChIInChI=1S/C14H23N3/c1-11(2)7-6-10-17(3)13-9-5-4-8-12(13)14(15)16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H3,15,16)
InChIKeyRCOKLVJBOJYHSB-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The IUPAC name of 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide (CID 83157429) is 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)CCCC(C)C.
What is the InChIKey of 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
The InChIKey is RCOKLVJBOJYHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)7-6-10-17(3)13-9-5-4-8-12(13)14(15)16/h4-5,8-9,11H,6-7,10H2,1-3H3,(H3,15,16).
What are the key properties of 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide?
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4-methylpentyl)amino]benzenecarboximidamide is sourced from PubChem (CID 83157429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).