N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide

C11H16N2 — CID 143563701

IUPACN-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide
SMILESC=N/C=N/C1=CC=C(C)CC1(C)C
InChIInChI=1S/C11H16N2/c1-9-5-6-10(13-8-12-4)11(2,3)7-9/h5-6,8H,4,7H2,1-3H3/b13-8+
InChIKeyYRRGEDDZONTZRG-MDWZMJQESA-N
MW176.26 g/mol
LogP2.98
Rot. Bonds2

About N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide

N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide (PubChem CID 143563701) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide
PubChem CID143563701
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide
SMILESC=N/C=N/C1=CC=C(C)CC1(C)C
InChIInChI=1S/C11H16N2/c1-9-5-6-10(13-8-12-4)11(2,3)7-9/h5-6,8H,4,7H2,1-3H3/b13-8+
InChIKeyYRRGEDDZONTZRG-MDWZMJQESA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.98
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'}

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Related Compounds

N-methylidene-N'-(3,5,5-trimethyl-1,2-dihydropyrrol-4-yl)methanimidamide
CID 143478640
[(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methylideneamino]urea
CID 131882036
7,8a-dimethyl-2,8-dihydro-1H-naphthalene
CID 143658641
4,4,6-trimethyl-1,3-dihydronaphthalen-2-one
CID 10997784
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
CID 144920508
5-chloro-1,5-dimethyl-4-nitrocyclohexa-1,3-diene
CID 152766124
6-(chloromethyl)-1,1,4,4-tetramethyl-7-prop-2-enyl-2,3-dihydronaphthalene
CID 70627056
2,5,5-trimethyl-6,8-dihydroquinazolin-7-one
CID 83915460
3,3,6-trimethyl-1,2,7,7a-tetrahydroindole
CID 152878348
5-methyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 139919540
6-but-3-enyl-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 173340112
(E)-3-(1,6-dimethyl-2-methylidenecyclohepta-3,5-dien-1-yl)-N'-methyl-3-(6-methylidene-1H-pyridin-3-yl)prop-2-enimidamide
CID 138614977

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide?
The IUPAC name of N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide (CID 143563701) is N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide?
The canonical SMILES for N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide is C=N/C=N/C1=CC=C(C)CC1(C)C.
What is the InChIKey of N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide?
The InChIKey is YRRGEDDZONTZRG-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-6-10(13-8-12-4)11(2,3)7-9/h5-6,8H,4,7H2,1-3H3/b13-8+.
What are the key properties of N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide?
N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanimidamide is sourced from PubChem (CID 143563701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).