2-methanimidoyl-5-propylaniline

C10H14N2 — CID 143067906

IUPAC2-methanimidoyl-5-propylaniline
SMILES[H]/N=C/c1ccc(CCC)cc1N
InChIInChI=1S/C10H14N2/c1-2-3-8-4-5-9(7-11)10(12)6-8/h4-7,11H,2-3,12H2,1H3/b11-7+
InChIKeySPKJMUOMUSFYCK-YRNVUSSQSA-N
MW162.24 g/mol
LogP2.22
Rot. Bonds3

About 2-methanimidoyl-5-propylaniline

2-methanimidoyl-5-propylaniline (PubChem CID 143067906) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methanimidoyl-5-propylaniline.

Molecular Properties

Compound Name2-methanimidoyl-5-propylaniline
PubChem CID143067906
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methanimidoyl-5-propylaniline
SMILES[H]/N=C/c1ccc(CCC)cc1N
InChIInChI=1S/C10H14N2/c1-2-3-8-4-5-9(7-11)10(12)6-8/h4-7,11H,2-3,12H2,1H3/b11-7+
InChIKeySPKJMUOMUSFYCK-YRNVUSSQSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.22
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

4-(aminomethyl)-2-methanimidoylaniline;ethane
CID 143089869
5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
CID 123380813
5-[5-[4-(3-chlorophenyl)-2,3-dihydropyrazin-1-yl]pentyl]-2-methanimidoylaniline
CID 139384149
2-chloro-4-propylaniline
CID 19914844
2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
CID 139888848
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
5-ethyl-2-methanimidoyl-N-methylaniline
CID 143482570
3-(3-amino-4-methanimidoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 130439706
2-ethenyl-5-ethylaniline
CID 142605746
1-ethenyl-2,4-dipropylbenzene
CID 22033822
4-[2-(dipropylamino)ethyl]benzene-1,2-diamine
CID 10014310
2-methanimidoyl-4-methoxyaniline
CID 91224663

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-5-propylaniline?
The IUPAC name of 2-methanimidoyl-5-propylaniline (CID 143067906) is 2-methanimidoyl-5-propylaniline.
What is the SMILES notation for 2-methanimidoyl-5-propylaniline?
The canonical SMILES for 2-methanimidoyl-5-propylaniline is [H]/N=C/c1ccc(CCC)cc1N.
What is the InChIKey of 2-methanimidoyl-5-propylaniline?
The InChIKey is SPKJMUOMUSFYCK-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-8-4-5-9(7-11)10(12)6-8/h4-7,11H,2-3,12H2,1H3/b11-7+.
What are the key properties of 2-methanimidoyl-5-propylaniline?
2-methanimidoyl-5-propylaniline has a molecular weight of 162.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-5-propylaniline is sourced from PubChem (CID 143067906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).