N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide

C15H22N2 — CID 170129361

IUPACN-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide
SMILESC=C(C)N/C(C)=N/C1=CC=CC(C)(C)C(C)=C1
InChIInChI=1S/C15H22N2/c1-11(2)16-13(4)17-14-8-7-9-15(5,6)12(3)10-14/h7-10H,1H2,2-6H3,(H,16,17)
InChIKeyHCKGKQZHSRZPEP-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.95
Rot. Bonds2

About N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide

N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide (PubChem CID 170129361) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide.

Molecular Properties

Compound NameN-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide
PubChem CID170129361
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide
SMILESC=C(C)N/C(C)=N/C1=CC=CC(C)(C)C(C)=C1
InChIInChI=1S/C15H22N2/c1-11(2)16-13(4)17-14-8-7-9-15(5,6)12(3)10-14/h7-10H,1H2,2-6H3,(H,16,17)
InChIKeyHCKGKQZHSRZPEP-UHFFFAOYSA-N
XLogP3.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
(5Z)-4,7-ditert-butyl-5-ethylidene-2-methyl-1,4-dihydro-1,3-diazepine
CID 123273723
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354
4-Tert-butyl-2,6-dimethyl-1,4-dihydropyrimidine
CID 134478713
N'-methyl-N-[(2E,4Z,8Z,10Z)-6-methyldodeca-2,4,8,10-tetraen-4-yl]ethanimidamide
CID 134591853
2,6-Dimethyl-3,7-dihydrocyclohepta[d]imidazole
CID 137466708
N'-buta-1,3-dien-2-yl-N-[(E)-4-methylidenehept-2-en-2-yl]ethanimidamide
CID 139305358
N'-buta-1,3-dien-2-yl-N-[(2E)-4-methylpenta-2,4-dien-2-yl]ethanimidamide
CID 139305374
N'-methyl-N-[(2Z,5Z)-3-methyl-4-methylidenehepta-2,5-dien-2-yl]ethanimidamide
CID 139484101
2,5,5-trimethyl-1H-cyclohepta[d]imidazole
CID 143038768

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide?
The IUPAC name of N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide (CID 170129361) is N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide.
What is the SMILES notation for N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide?
The canonical SMILES for N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide is C=C(C)N/C(C)=N/C1=CC=CC(C)(C)C(C)=C1.
What is the InChIKey of N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide?
The InChIKey is HCKGKQZHSRZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)16-13(4)17-14-8-7-9-15(5,6)12(3)10-14/h7-10H,1H2,2-6H3,(H,16,17).
What are the key properties of N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide?
N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide has a molecular weight of 230.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-N'-(5,5,6-trimethylcyclohepta-1,3,6-trien-1-yl)ethanimidamide is sourced from PubChem (CID 170129361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).