N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide

C13H19N3 — CID 142231154

IUPACN'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide
SMILESCC(=N\C1=CCC=CC=C1)/N=C(\C)N(C)C
InChIInChI=1S/C13H19N3/c1-11(14-12(2)16(3)4)15-13-9-7-5-6-8-10-13/h5-7,9-10H,8H2,1-4H3/b14-12+,15-11+
InChIKeyMKRQECBIKLXAJP-IEXJHRSDSA-N
MW217.32 g/mol
LogP2.78
Rot. Bonds1

About N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide

N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide (PubChem CID 142231154) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide.

Molecular Properties

Compound NameN'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide
PubChem CID142231154
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide
SMILESCC(=N\C1=CCC=CC=C1)/N=C(\C)N(C)C
InChIInChI=1S/C13H19N3/c1-11(14-12(2)16(3)4)15-13-9-7-5-6-8-10-13/h5-7,9-10H,8H2,1-4H3/b14-12+,15-11+
InChIKeyMKRQECBIKLXAJP-IEXJHRSDSA-N
XLogP2.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.78
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'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide 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-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
2-Cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212599
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 123219770
N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
CID 123319103
(2Z)-N,N-dimethyl-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 132216814
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
CID 142229617
(5Z,7Z)-3-ethyl-2,4-dimethyl-9-methylidene-4H-1,3-diazonine
CID 142875597
(4E,5E)-1,2-dimethyl-5-prop-2-enylidene-4-propylideneimidazole;ethane
CID 143526414
8,9-Dimethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 143599911

Frequently Asked Questions

What is the IUPAC name of N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide?
The IUPAC name of N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide (CID 142231154) is N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide.
What is the SMILES notation for N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide?
The canonical SMILES for N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide is CC(=N\C1=CCC=CC=C1)/N=C(\C)N(C)C.
What is the InChIKey of N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide?
The InChIKey is MKRQECBIKLXAJP-IEXJHRSDSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(14-12(2)16(3)4)15-13-9-7-5-6-8-10-13/h5-7,9-10H,8H2,1-4H3/b14-12+,15-11+.
What are the key properties of N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide?
N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide has a molecular weight of 217.32 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide is sourced from PubChem (CID 142231154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).