N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine

C13H20N2 — CID 130374676

IUPACN,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC(C)=C(N=C(C)C)C=C1C
InChIInChI=1S/C13H20N2/c1-9(2)15-13-8-11(4)12(14-5)7-6-10(13)3/h6-8,12,14H,1-5H3
InChIKeyUPBLYWLZBKVFID-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.85
Rot. Bonds2

About N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine

N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine (PubChem CID 130374676) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine
PubChem CID130374676
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine
SMILESCNC1C=CC(C)=C(N=C(C)C)C=C1C
InChIInChI=1S/C13H20N2/c1-9(2)15-13-8-11(4)12(14-5)7-6-10(13)3/h6-8,12,14H,1-5H3
InChIKeyUPBLYWLZBKVFID-UHFFFAOYSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine 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,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine (CID 130374676) is N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine is CNC1C=CC(C)=C(N=C(C)C)C=C1C.
What is the InChIKey of N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine?
The InChIKey is UPBLYWLZBKVFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)15-13-8-11(4)12(14-5)7-6-10(13)3/h6-8,12,14H,1-5H3.
What are the key properties of N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine?
N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-4-(propan-2-ylideneamino)cyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 130374676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).