N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine

C11H15N3 — CID 146531974

IUPACN-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine
SMILESCN(C1=CC=CCC1)c1nccn1C
InChIInChI=1S/C11H15N3/c1-13-9-8-12-11(13)14(2)10-6-4-3-5-7-10/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyFXBNPWKPKDECIP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.09
Rot. Bonds2

About N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine

N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine (PubChem CID 146531974) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine
PubChem CID146531974
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine
SMILESCN(C1=CC=CCC1)c1nccn1C
InChIInChI=1S/C11H15N3/c1-13-9-8-12-11(13)14(2)10-6-4-3-5-7-10/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyFXBNPWKPKDECIP-UHFFFAOYSA-N
XLogP2.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine (CID 146531974) is N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine is CN(C1=CC=CCC1)c1nccn1C.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine?
The InChIKey is FXBNPWKPKDECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-9-8-12-11(13)14(2)10-6-4-3-5-7-10/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine?
N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N,1-dimethylimidazol-2-amine is sourced from PubChem (CID 146531974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).