N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide

C15H22N2 — CID 174366216

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
SMILESC=CC=CCC/C(=N\C)NCC1=CCCC=C1
InChIInChI=1S/C15H22N2/c1-3-4-5-9-12-15(16-2)17-13-14-10-7-6-8-11-14/h3-5,7,10-11H,1,6,8-9,12-13H2,2H3,(H,16,17)
InChIKeyGHUUNLRWFHDBKJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.40
Rot. Bonds6

About N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide

N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide (PubChem CID 174366216) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
PubChem CID174366216
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide
SMILESC=CC=CCC/C(=N\C)NCC1=CCCC=C1
InChIInChI=1S/C15H22N2/c1-3-4-5-9-12-15(16-2)17-13-14-10-7-6-8-11-14/h3-5,7,10-11H,1,6,8-9,12-13H2,2H3,(H,16,17)
InChIKeyGHUUNLRWFHDBKJ-UHFFFAOYSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.40
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide 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-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide (CID 174366216) is N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide is C=CC=CCC/C(=N\C)NCC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide?
The InChIKey is GHUUNLRWFHDBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-4-5-9-12-15(16-2)17-13-14-10-7-6-8-11-14/h3-5,7,10-11H,1,6,8-9,12-13H2,2H3,(H,16,17).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide has a molecular weight of 230.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-methylhepta-4,6-dienimidamide is sourced from PubChem (CID 174366216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).