N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine

C14H17N — CID 173163719

IUPACN,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
SMILESCN(C)C1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C14H17N/c1-15(2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,13-14H,1-2H3
InChIKeyIRWLFSDLLKZREE-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.83
Rot. Bonds2

About N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine

N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine (PubChem CID 173163719) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
PubChem CID173163719
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine
SMILESCN(C)C1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C14H17N/c1-15(2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,13-14H,1-2H3
InChIKeyIRWLFSDLLKZREE-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
trans-(2S,3S)-N,N-dimethyl-2,3-diphenylcyclopropan-1-amine
CID 134994236
4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-yl]-phenylmethyl]-N,N-dimethylaniline
CID 155228817
diphenyliodanium;ethane;methane
CID 159636739
3,3-diiodo-6-phenylcyclohexa-1,4-diene
CID 18000337
3,3-dibromo-6-phenylcyclohexa-1,4-diene
CID 67389672
diphenyliodanium;hydroiodide
CID 54604341
2-phenyl-2H-indene
CID 24940237
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine (CID 173163719) is N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine is CN(C)C1C=CC(c2ccccc2)C=C1.
What is the InChIKey of N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine?
The InChIKey is IRWLFSDLLKZREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-15(2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,13-14H,1-2H3.
What are the key properties of N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine?
N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 173163719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).