N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine

C13H23N3 — CID 163547052

IUPACN-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CC)C1C=CC(/N=N/CC)=CC1
InChIInChI=1S/C13H23N3/c1-4-11-16(6-3)13-9-7-12(8-10-13)15-14-5-2/h7-9,13H,4-6,10-11H2,1-3H3/b15-14+
InChIKeyFFXPQNUYAYFIRJ-CCEZHUSRSA-N
MW221.35 g/mol
LogP3.40
Rot. Bonds6

About N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine

N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 163547052) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID163547052
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCN(CC)C1C=CC(/N=N/CC)=CC1
InChIInChI=1S/C13H23N3/c1-4-11-16(6-3)13-9-7-12(8-10-13)15-14-5-2/h7-9,13H,4-6,10-11H2,1-3H3/b15-14+
InChIKeyFFXPQNUYAYFIRJ-CCEZHUSRSA-N
XLogP3.40
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine 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-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
CID 143122302
N-methyl-4-(4-methylpiperazin-1-yl)-N-propylcyclohexa-2,4-dien-1-amine
CID 167253998
5-(aminomethyl)-3-[4-[(2-fluoro-3,3-dimethoxypropyl)-propylamino]cyclohexa-1,5-dien-1-yl]-1,3-oxazolidin-2-one
CID 142851348
lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
CID 174874760
4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine;hydrochloride
CID 173447835
2-N,2-N-dipropyl-1,2-dihydropyridine-2,5-diamine
CID 86340524
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-[4-[bis(2-hydroxyethyl)amino]cyclohexa-1,5-dien-1-yl]butan-2-ylidenecyanamide
CID 123426791
1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine
CID 71092221
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-N-ethyl-1-N-methyl-3-N-propylcyclopentane-1,3-diamine
CID 79644235
4-tert-butyl-N,N-dipropylcyclohex-3-en-1-amine
CID 164997693

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine (CID 163547052) is N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine is CCCN(CC)C1C=CC(/N=N/CC)=CC1.
What is the InChIKey of N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is FFXPQNUYAYFIRJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11-16(6-3)13-9-7-12(8-10-13)15-14-5-2/h7-9,13H,4-6,10-11H2,1-3H3/b15-14+.
What are the key properties of N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine?
N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163547052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).