N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide

C16H24N2 — CID 138737532

IUPACN'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide
SMILESC=C/C(=N\C(=C)C1C[C@@H](C)C=CC=C1C)N(C)C
InChIInChI=1S/C16H24N2/c1-7-16(18(5)6)17-14(4)15-11-12(2)9-8-10-13(15)3/h7-10,12,15H,1,4,11H2,2-3,5-6H3/b17-16+/t12-,15?/m0/s1
InChIKeyCVVGQMZYAZGQPB-OJOHQSHESA-N
MW244.38 g/mol
LogP3.80
Rot. Bonds3

About N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide

N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide (PubChem CID 138737532) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide.

Molecular Properties

Compound NameN'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide
PubChem CID138737532
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide
SMILESC=C/C(=N\C(=C)C1C[C@@H](C)C=CC=C1C)N(C)C
InChIInChI=1S/C16H24N2/c1-7-16(18(5)6)17-14(4)15-11-12(2)9-8-10-13(15)3/h7-10,12,15H,1,4,11H2,2-3,5-6H3/b17-16+/t12-,15?/m0/s1
InChIKeyCVVGQMZYAZGQPB-OJOHQSHESA-N
XLogP3.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide?
The IUPAC name of N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide (CID 138737532) is N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide.
What is the SMILES notation for N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide?
The canonical SMILES for N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide is C=C/C(=N\C(=C)C1C[C@@H](C)C=CC=C1C)N(C)C.
What is the InChIKey of N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide?
The InChIKey is CVVGQMZYAZGQPB-OJOHQSHESA-N. The full InChI is InChI=1S/C16H24N2/c1-7-16(18(5)6)17-14(4)15-11-12(2)9-8-10-13(15)3/h7-10,12,15H,1,4,11H2,2-3,5-6H3/b17-16+/t12-,15?/m0/s1.
What are the key properties of N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide?
N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide has a molecular weight of 244.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(6R)-2,6-dimethylcyclohepta-2,4-dien-1-yl]ethenyl]-N,N-dimethylprop-2-enimidamide is sourced from PubChem (CID 138737532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).