4-methyl-2-propanimidoylaniline;molecular hydrogen

C10H16N2 — CID 176988510

IUPAC4-methyl-2-propanimidoylaniline;molecular hydrogen
SMILES[H]/N=C(\CC)c1cc(C)ccc1N.[H][H]
InChIInChI=1S/C10H14N2.H2/c1-3-9(11)8-6-7(2)4-5-10(8)12;/h4-6,11H,3,12H2,1-2H3;1H/b11-9+;
InChIKeyZPPBIJZMWWAWAD-LBEJWNQZSA-N
MW164.25 g/mol
LogP2.60
Rot. Bonds2

About 4-methyl-2-propanimidoylaniline;molecular hydrogen

4-methyl-2-propanimidoylaniline;molecular hydrogen (PubChem CID 176988510) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methyl-2-propanimidoylaniline;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-2-propanimidoylaniline;molecular hydrogen
PubChem CID176988510
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-methyl-2-propanimidoylaniline;molecular hydrogen
SMILES[H]/N=C(\CC)c1cc(C)ccc1N.[H][H]
InChIInChI=1S/C10H14N2.H2/c1-3-9(11)8-6-7(2)4-5-10(8)12;/h4-6,11H,3,12H2,1-2H3;1H/b11-9+;
InChIKeyZPPBIJZMWWAWAD-LBEJWNQZSA-N
XLogP2.60
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
CID 143489753
2-propanimidoyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 143103053
2-(2-aminoethanimidoyl)-4-methylphenol
CID 142030299
3-amino-2-methyl-4-propanimidoylbenzoic acid
CID 129029068
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
2,4-dimethylaniline;methanol
CID 70633605
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propanimidoylaniline;molecular hydrogen?
The IUPAC name of 4-methyl-2-propanimidoylaniline;molecular hydrogen (CID 176988510) is 4-methyl-2-propanimidoylaniline;molecular hydrogen.
What is the SMILES notation for 4-methyl-2-propanimidoylaniline;molecular hydrogen?
The canonical SMILES for 4-methyl-2-propanimidoylaniline;molecular hydrogen is [H]/N=C(\CC)c1cc(C)ccc1N.[H][H].
What is the InChIKey of 4-methyl-2-propanimidoylaniline;molecular hydrogen?
The InChIKey is ZPPBIJZMWWAWAD-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H14N2.H2/c1-3-9(11)8-6-7(2)4-5-10(8)12;/h4-6,11H,3,12H2,1-2H3;1H/b11-9+;.
What are the key properties of 4-methyl-2-propanimidoylaniline;molecular hydrogen?
4-methyl-2-propanimidoylaniline;molecular hydrogen has a molecular weight of 164.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propanimidoylaniline;molecular hydrogen is sourced from PubChem (CID 176988510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).