4-(aminomethyl)-2-methanimidoylaniline;ethane

C10H17N3 — CID 143089869

IUPAC4-(aminomethyl)-2-methanimidoylaniline;ethane
SMILESCC.[H]/N=C/c1cc(CN)ccc1N
InChIInChI=1S/C8H11N3.C2H6/c9-4-6-1-2-8(11)7(3-6)5-10;1-2/h1-3,5,10H,4,9,11H2;1-2H3/b10-5+;
InChIKeyKHWLPEKHZPZXOK-OAZHBLANSA-N
MW179.27 g/mol
LogP1.75
Rot. Bonds2

About 4-(aminomethyl)-2-methanimidoylaniline;ethane

4-(aminomethyl)-2-methanimidoylaniline;ethane (PubChem CID 143089869) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methanimidoylaniline;ethane.

Molecular Properties

Compound Name4-(aminomethyl)-2-methanimidoylaniline;ethane
PubChem CID143089869
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(aminomethyl)-2-methanimidoylaniline;ethane
SMILESCC.[H]/N=C/c1cc(CN)ccc1N
InChIInChI=1S/C8H11N3.C2H6/c9-4-6-1-2-8(11)7(3-6)5-10;1-2/h1-3,5,10H,4,9,11H2;1-2H3/b10-5+;
InChIKeyKHWLPEKHZPZXOK-OAZHBLANSA-N
XLogP1.75
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-2-methanimidoylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methanimidoylbenzene-1,4-diamine
CID 143170721
2-methanimidoyl-4-methoxyaniline
CID 91224663
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
ethane;2-methanimidoyl-4-nitroaniline
CID 168895735
(2S)-3-(4-amino-3-methanimidoylphenyl)-2-N-(cyclopropylmethyl)-2-N-methylpropane-1,2-diamine
CID 139568975
ethane;2-methanimidoyl-5-[(1-methylcyclopropyl)methyl]aniline
CID 144912566
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
2-methanimidoyl-5-propylaniline
CID 143067906
N-[(4-amino-3-methanimidoylphenyl)methyl]-2-chloropyrimidin-4-amine
CID 163891313
4-(aminomethyl)-2-methylaniline
CID 18727732
4-(aminomethyl)-2-methanimidoyl-6-methoxy-N-methylaniline
CID 166139659
tert-butyl N-[4-[[5-(aminomethyl)-2-(trifluoromethyl)phenoxy]methyl]-2-methanimidoylphenyl]carbamate
CID 174333432

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methanimidoylaniline;ethane?
The IUPAC name of 4-(aminomethyl)-2-methanimidoylaniline;ethane (CID 143089869) is 4-(aminomethyl)-2-methanimidoylaniline;ethane.
What is the SMILES notation for 4-(aminomethyl)-2-methanimidoylaniline;ethane?
The canonical SMILES for 4-(aminomethyl)-2-methanimidoylaniline;ethane is CC.[H]/N=C/c1cc(CN)ccc1N.
What is the InChIKey of 4-(aminomethyl)-2-methanimidoylaniline;ethane?
The InChIKey is KHWLPEKHZPZXOK-OAZHBLANSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c9-4-6-1-2-8(11)7(3-6)5-10;1-2/h1-3,5,10H,4,9,11H2;1-2H3/b10-5+;.
What are the key properties of 4-(aminomethyl)-2-methanimidoylaniline;ethane?
4-(aminomethyl)-2-methanimidoylaniline;ethane has a molecular weight of 179.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methanimidoylaniline;ethane is sourced from PubChem (CID 143089869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).