N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane

C11H19N3 — CID 143068959

IUPACN-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane
SMILESC/N=C/N(C)c1ccc(N)cc1.CC
InChIInChI=1S/C9H13N3.C2H6/c1-11-7-12(2)9-5-3-8(10)4-6-9;1-2/h3-7H,10H2,1-2H3;1-2H3/b11-7+;
InChIKeyXDTIUEIRGDAATM-RVDQCCQOSA-N
MW193.29 g/mol
LogP2.39
Rot. Bonds2

About N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane

N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane (PubChem CID 143068959) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane
PubChem CID143068959
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane
SMILESC/N=C/N(C)c1ccc(N)cc1.CC
InChIInChI=1S/C9H13N3.C2H6/c1-11-7-12(2)9-5-3-8(10)4-6-9;1-2/h3-7H,10H2,1-2H3;1-2H3/b11-7+;
InChIKeyXDTIUEIRGDAATM-RVDQCCQOSA-N
XLogP2.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;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

N-(4-aminophenyl)-N-methylformamide
CID 19983561
N-(4-aminophenyl)-N,N'-dimethylethanimidamide
CID 70562086
benzene-1,4-diamine;ethane;methane
CID 159498580
4-[(dimethylhydrazinylidene)methyl]aniline
CID 123147068
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
4-(dimethylaminodiazenyl)aniline
CID 71404531
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
4-N-methyl-4-N-(2-sulfonylethyl)benzene-1,4-diamine
CID 54222580
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane?
The IUPAC name of N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane (CID 143068959) is N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane.
What is the SMILES notation for N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane?
The canonical SMILES for N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane is C/N=C/N(C)c1ccc(N)cc1.CC.
What is the InChIKey of N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane?
The InChIKey is XDTIUEIRGDAATM-RVDQCCQOSA-N. The full InChI is InChI=1S/C9H13N3.C2H6/c1-11-7-12(2)9-5-3-8(10)4-6-9;1-2/h3-7H,10H2,1-2H3;1-2H3/b11-7+;.
What are the key properties of N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane?
N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane has a molecular weight of 193.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,N'-dimethylmethanimidamide;ethane is sourced from PubChem (CID 143068959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).