1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine

C10H18N2 — CID 150686114

IUPAC1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
SMILESCCNC1(NCC)C=CC=CC1
InChIInChI=1S/C10H18N2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-8,11-12H,3-4,9H2,1-2H3
InChIKeyJIWXXTUKFKLSRD-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.42
Rot. Bonds4

About 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine

1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 150686114) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
PubChem CID150686114
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
SMILESCCNC1(NCC)C=CC=CC1
InChIInChI=1S/C10H18N2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-8,11-12H,3-4,9H2,1-2H3
InChIKeyJIWXXTUKFKLSRD-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
CID 146333372
5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
CID 154507667
1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine
CID 175360509
1,1-Diethylamino-3,8-nonadiene
CID 129810738
Tris[2-ethyl-(2-pyridyl)]-amine
CID 129856796
4-Diethylamino-p-phenylenediamine
CID 149750270
1-[(1-Aminocyclohexa-2,4-dien-1-yl)amino]-2-methylpropane-2-thiol
CID 19914268
3-Propan-2-yl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479185
3-Propyl-1,2,3a,7a-tetrahydrobenzimidazole
CID 21479197
2-methyl-2,3,3a,7a-tetrahydro-1H-benzimidazole
CID 22258251
N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
CID 56614411
(1Z)-N,N-dimethyl-8-azatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57065739

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine (CID 150686114) is 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine is CCNC1(NCC)C=CC=CC1.
What is the InChIKey of 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is JIWXXTUKFKLSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-8,11-12H,3-4,9H2,1-2H3.
What are the key properties of 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 150686114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).