1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine

C16H20N2 — CID 174761842

IUPAC1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
SMILESCN(C)C1(N)C=CC(/C=C/c2ccccc2)=CC1
InChIInChI=1S/C16H20N2/c1-18(2)16(17)12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-12H,13,17H2,1-2H3/b9-8+
InChIKeyNKUUACREDWYIBN-CMDGGOBGSA-N
MW240.35 g/mol
LogP2.80
Rot. Bonds3

About 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine

1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine (PubChem CID 174761842) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
PubChem CID174761842
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
SMILESCN(C)C1(N)C=CC(/C=C/c2ccccc2)=CC1
InChIInChI=1S/C16H20N2/c1-18(2)16(17)12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-12H,13,17H2,1-2H3/b9-8+
InChIKeyNKUUACREDWYIBN-CMDGGOBGSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine 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

2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 70267811
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
1-acetyloxy-4-(2-phenylethenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70447229
1-[1-methyl-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-isoindole
CID 70039817
N,N-dimethylmethanamine;stilbene
CID 174368184
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine (CID 174761842) is 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine is CN(C)C1(N)C=CC(/C=C/c2ccccc2)=CC1.
What is the InChIKey of 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine?
The InChIKey is NKUUACREDWYIBN-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(2)16(17)12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-12H,13,17H2,1-2H3/b9-8+.
What are the key properties of 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine?
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine has a molecular weight of 240.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 174761842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).