[4-(diethylamino)-2-methylphenyl]iminoazanium

C11H18N3+ — CID 4185821

IUPAC[4-(diethylamino)-2-methylphenyl]iminoazanium
SMILESCCN(CC)c1ccc(N=[NH2+])c(C)c1
InChIInChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6-8,12H,4-5H2,1-3H3/p+1
InChIKeyKTZVBDUWDXUASA-UHFFFAOYSA-O
MW192.29 g/mol
LogP1.68
Rot. Bonds4

About [4-(diethylamino)-2-methylphenyl]iminoazanium

[4-(diethylamino)-2-methylphenyl]iminoazanium (PubChem CID 4185821) has the molecular formula C11H18N3+ and a molecular weight of 192.29 g/mol. Its IUPAC name is [4-(diethylamino)-2-methylphenyl]iminoazanium.

Molecular Properties

Compound Name[4-(diethylamino)-2-methylphenyl]iminoazanium
PubChem CID4185821
Molecular FormulaC11H18N3+
Molecular Weight192.29 g/mol
Exact Mass192.15
IUPAC Name[4-(diethylamino)-2-methylphenyl]iminoazanium
SMILESCCN(CC)c1ccc(N=[NH2+])c(C)c1
InChIInChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6-8,12H,4-5H2,1-3H3/p+1
InChIKeyKTZVBDUWDXUASA-UHFFFAOYSA-O
XLogP1.68
TPSA41.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
3,3-dicyano-N-[4-(diethylamino)-2-methylphenyl]-2-phenylprop-2-enimidoyl cyanide
CID 19781376
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
CID 135608509
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
methyl N-[5-(diethylamino)-2-methylphenyl]methanimidate
CID 20778014
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 118655354
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893
4-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 59180987
6-amino-2-chloro-4-[4-(diethylamino)-2-methylphenyl]imino-3-ethylcyclohexa-2,5-dien-1-one
CID 144909441

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-2-methylphenyl]iminoazanium?
The IUPAC name of [4-(diethylamino)-2-methylphenyl]iminoazanium (CID 4185821) is [4-(diethylamino)-2-methylphenyl]iminoazanium.
What is the SMILES notation for [4-(diethylamino)-2-methylphenyl]iminoazanium?
The canonical SMILES for [4-(diethylamino)-2-methylphenyl]iminoazanium is CCN(CC)c1ccc(N=[NH2+])c(C)c1.
What is the InChIKey of [4-(diethylamino)-2-methylphenyl]iminoazanium?
The InChIKey is KTZVBDUWDXUASA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10/h6-8,12H,4-5H2,1-3H3/p+1.
What are the key properties of [4-(diethylamino)-2-methylphenyl]iminoazanium?
[4-(diethylamino)-2-methylphenyl]iminoazanium has a molecular weight of 192.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-2-methylphenyl]iminoazanium is sourced from PubChem (CID 4185821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).