N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide

C10H16N2 — CID 142083031

IUPACN,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(/C1=C(C)CCC=C1)N(C)C
InChIInChI=1S/C10H16N2/c1-8-6-4-5-7-9(8)10(11)12(2)3/h5,7,11H,4,6H2,1-3H3/b11-10-
InChIKeyXCYTXKJNWSCDIS-KHPPLWFESA-N
MW164.25 g/mol
LogP2.19
Rot. Bonds1

About N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide

N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 142083031) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID142083031
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(/C1=C(C)CCC=C1)N(C)C
InChIInChI=1S/C10H16N2/c1-8-6-4-5-7-9(8)10(11)12(2)3/h5,7,11H,4,6H2,1-3H3/b11-10-
InChIKeyXCYTXKJNWSCDIS-KHPPLWFESA-N
XLogP2.19
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.19
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

(3-Butan-2-yl-2-methylhepta-2,4-dienimidoyl)-trimethylazanium
CID 123329057
N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
1-Methyl-5-(3-methylbuta-1,3-dien-2-yl)pyridin-2-imine
CID 132050965
methyl-[(3Z)-2-methylidenehexa-3,5-dienimidoyl]azanide;rubidium(1+)
CID 141973035
ethane;N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997058
(2E)-2-[(Z)-but-2-en-2-yl]-N,N-dimethylpenta-2,4-dienimidamide
CID 142082710
(2E)-N,N-dimethyl-2-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 142082807
N,N-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 142082835
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
5-Ethyl-1-methylpyridin-2-imine
CID 142884998
Cyclohexa-1,5-diene-1-carboximidamide;ethane
CID 143671547
1,3,5-Trimethylpyridin-2-imine
CID 145172100

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide (CID 142083031) is N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(/C1=C(C)CCC=C1)N(C)C.
What is the InChIKey of N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is XCYTXKJNWSCDIS-KHPPLWFESA-N. The full InChI is InChI=1S/C10H16N2/c1-8-6-4-5-7-9(8)10(11)12(2)3/h5,7,11H,4,6H2,1-3H3/b11-10-.
What are the key properties of N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide?
N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 164.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 142083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).