N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide

C19H23N3 — CID 146664852

IUPACN-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)N(C)C(C)CC)c1ccccc1
InChIInChI=1S/C19H23N3/c1-4-15(2)22(3)19(17-13-9-6-10-14-17)21-18(20)16-11-7-5-8-12-16/h5-15,20H,4H2,1-3H3/b20-18+,21-19+
InChIKeyDOJIIEHLXJXEBX-FRCMOREXSA-N
MW293.41 g/mol
LogP4.19
Rot. Bonds4

About N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide

N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide (PubChem CID 146664852) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
PubChem CID146664852
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)N(C)C(C)CC)c1ccccc1
InChIInChI=1S/C19H23N3/c1-4-15(2)22(3)19(17-13-9-6-10-14-17)21-18(20)16-11-7-5-8-12-16/h5-15,20H,4H2,1-3H3/b20-18+,21-19+
InChIKeyDOJIIEHLXJXEBX-FRCMOREXSA-N
XLogP4.19
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.19
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-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide (CID 146664852) is N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(\c1ccccc1)N(C)C(C)CC)c1ccccc1.
What is the InChIKey of N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The InChIKey is DOJIIEHLXJXEBX-FRCMOREXSA-N. The full InChI is InChI=1S/C19H23N3/c1-4-15(2)22(3)19(17-13-9-6-10-14-17)21-18(20)16-11-7-5-8-12-16/h5-15,20H,4H2,1-3H3/b20-18+,21-19+.
What are the key properties of N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide has a molecular weight of 293.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 146664852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).