p-(1-Dimethylamino ethylimino)aniline

C10H17N3 — CID 129852262

IUPAC4-[1-(dimethylamino)ethylimino]cyclohexa-1,5-dien-1-amine
SMILESCC(N=C1CC=C(C=C1)N)N(C)C
InChIInChI=1S/C10H17N3/c1-8(13(2)3)12-10-6-4-9(11)5-7-10/h4-6,8H,7,11H2,1-3H3
InChIKeyARRXHBGKKXCKPF-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.70
Rot. Bonds2

About p-(1-Dimethylamino ethylimino)aniline

p-(1-Dimethylamino ethylimino)aniline (PubChem CID 129852262) has the molecular formula C10H17N3 and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[1-(dimethylamino)ethylimino]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Namep-(1-Dimethylamino ethylimino)aniline
PubChem CID129852262
Molecular FormulaC10H17N3
Molecular Weight179.26 g/mol
Exact Mass179.14
IUPAC Name4-[1-(dimethylamino)ethylimino]cyclohexa-1,5-dien-1-amine
SMILESCC(N=C1CC=C(C=C1)N)N(C)C
InChIInChI=1S/C10H17N3/c1-8(13(2)3)12-10-6-4-9(11)5-7-10/h4-6,8H,7,11H2,1-3H3
InChIKeyARRXHBGKKXCKPF-UHFFFAOYSA-N
XLogP0.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of p-(1-Dimethylamino ethylimino)aniline?
The IUPAC name of p-(1-Dimethylamino ethylimino)aniline (CID 129852262) is 4-[1-(dimethylamino)ethylimino]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for p-(1-Dimethylamino ethylimino)aniline?
The canonical SMILES for p-(1-Dimethylamino ethylimino)aniline is CC(N=C1CC=C(C=C1)N)N(C)C.
What is the InChIKey of p-(1-Dimethylamino ethylimino)aniline?
The InChIKey is ARRXHBGKKXCKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(13(2)3)12-10-6-4-9(11)5-7-10/h4-6,8H,7,11H2,1-3H3.
What are the key properties of p-(1-Dimethylamino ethylimino)aniline?
p-(1-Dimethylamino ethylimino)aniline has a molecular weight of 179.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for p-(1-Dimethylamino ethylimino)aniline is sourced from PubChem (CID 129852262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).