(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine

C10H12N2 — CID 142166817

IUPAC(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=N/C(N)=c1/cc(C)ccc1=C
InChIInChI=1S/C10H12N2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,2-3,11H2,1H3/b10-9-
InChIKeyUCOUDWVXWUYBMX-KTKRTIGZSA-N
MW160.22 g/mol
LogP0.13
Rot. Bonds1

About (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine

(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine (PubChem CID 142166817) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
PubChem CID142166817
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=N/C(N)=c1/cc(C)ccc1=C
InChIInChI=1S/C10H12N2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,2-3,11H2,1H3/b10-9-
InChIKeyUCOUDWVXWUYBMX-KTKRTIGZSA-N
XLogP0.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 71047449
(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 88958655
(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 88995130
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448
N-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]methanimine
CID 130331404
N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]methanimine
CID 130456704
(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 134299504
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylbut-1-enyl]methanimine
CID 138461755
(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine
CID 138510533
N-[(Z,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-methylprop-1-enyl]methanimine
CID 138671769
N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]methanimine
CID 142097742
ethane;(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933163

Frequently Asked Questions

What is the IUPAC name of (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The IUPAC name of (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine (CID 142166817) is (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine.
What is the SMILES notation for (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The canonical SMILES for (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine is C=N/C(N)=c1/cc(C)ccc1=C.
What is the InChIKey of (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
The InChIKey is UCOUDWVXWUYBMX-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,2-3,11H2,1H3/b10-9-.
What are the key properties of (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine?
(Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine has a molecular weight of 160.22 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(methylideneamino)-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanamine is sourced from PubChem (CID 142166817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).