N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide

C10H16N2 — CID 171089154

IUPACN-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide
SMILESC/N=C/NC1=CC=CCC1(C)C
InChIInChI=1S/C10H16N2/c1-10(2)7-5-4-6-9(10)12-8-11-3/h4-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyROYXTWMRVYQNEZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.10
Rot. Bonds2

About N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide

N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide (PubChem CID 171089154) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide
PubChem CID171089154
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide
SMILESC/N=C/NC1=CC=CCC1(C)C
InChIInChI=1S/C10H16N2/c1-10(2)7-5-4-6-9(10)12-8-11-3/h4-6,8H,7H2,1-3H3,(H,11,12)
InChIKeyROYXTWMRVYQNEZ-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.10
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-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylcarbamimidoyl fluoride
CID 153584697
7-Dimethyl-3,4,7,8-tetrahydroquinazoline
CID 135393541
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine
CID 126593522
N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
CID 142041082
5-Tert-butyl-6-ethenyl-1,4-dihydropyrimidine
CID 142076458
4-methyl-6-methylidene-5-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 142610554
ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256830
Ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
CID 143303386
(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine
CID 143715495
(4E,5E)-5-[(Z)-5,5-dimethylhex-2-enylidene]-4-ethylidene-1H-imidazole
CID 146493009
4-ethyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
CID 155419584

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide (CID 171089154) is N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide is C/N=C/NC1=CC=CCC1(C)C.
What is the InChIKey of N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide?
The InChIKey is ROYXTWMRVYQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2)7-5-4-6-9(10)12-8-11-3/h4-6,8H,7H2,1-3H3,(H,11,12).
What are the key properties of N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide?
N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethylcyclohexa-1,3-dien-1-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 171089154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).