2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine

C13H18ClN3 — CID 19040198

IUPAC2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
SMILESCN(C1=C(Cl)CC(=[N+]=[N-])C=C1)C1CCCCC1
InChIInChI=1S/C13H18ClN3/c1-17(11-5-3-2-4-6-11)13-8-7-10(16-15)9-12(13)14/h7-8,11H,2-6,9H2,1H3
InChIKeyGNEZJXGHVYSZOX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine

2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 19040198) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID19040198
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
SMILESCN(C1=C(Cl)CC(=[N+]=[N-])C=C1)C1CCCCC1
InChIInChI=1S/C13H18ClN3/c1-17(11-5-3-2-4-6-11)13-8-7-10(16-15)9-12(13)14/h7-8,11H,2-6,9H2,1H3
InChIKeyGNEZJXGHVYSZOX-UHFFFAOYSA-N
XLogP3.33
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine
CID 18697472
N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
CID 53776669
6-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
CID 57190702
2-chloro-N-cyclohexyl-4-diazocyclohexa-1,5-dien-1-amine
CID 154098842
N,N-dibutyl-2-chloro-4-diazocyclohexa-1,5-dien-1-amine
CID 154174627
2,3-dichloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine
CID 164050412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine (CID 19040198) is 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine is CN(C1=C(Cl)CC(=[N+]=[N-])C=C1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is GNEZJXGHVYSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-17(11-5-3-2-4-6-11)13-8-7-10(16-15)9-12(13)14/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine?
2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 251.76 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-4-diazo-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 19040198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).