N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine

C8H12N2 — CID 143554337

IUPACN-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=NN(C)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c1-9-10(2)8-6-4-3-5-7-8/h4,6-7H,1,3,5H2,2H3
InChIKeyKGZFBTAWFVWNIK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds2

About N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine

N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine (PubChem CID 143554337) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
PubChem CID143554337
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=NN(C)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c1-9-10(2)8-6-4-3-5-7-8/h4,6-7H,1,3,5H2,2H3
InChIKeyKGZFBTAWFVWNIK-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-fluoro-N-methyl-N-(methylideneamino)hexa-1,3-dien-2-amine
CID 135202531
Lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide
CID 134905420
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]-[methyl(methylidene)azaniumyl]azanide;ethane
CID 91124842
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
Cyclohexa-1,5-dien-1-yl-methyl-methylideneazanium
CID 123763898
N-[(2E)-2-(1-iodopropylidene)-1-pyridinyl]methanimine
CID 132124393
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
CID 139397574
N-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 141846006
(Z)-N-[(2E)-2-butylidene-1-pyridinyl]ethanimine
CID 142427783
N-cyclohexa-1,5-dien-1-ylmethanimine;ethane
CID 143918004
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
CID 145404879

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine (CID 143554337) is N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine is C=NN(C)C1=CCCC=C1.
What is the InChIKey of N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The InChIKey is KGZFBTAWFVWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-10(2)8-6-4-3-5-7-8/h4,6-7H,1,3,5H2,2H3.
What are the key properties of N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine?
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143554337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).