(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

C9H10N2 — CID 88958655

IUPAC(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C=c1/cccc/c1=C/N
InChIInChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10/h2-7H,1,10H2/b8-6-,9-7-
InChIKeySQKQWBZJFUVLQP-VRHVFUOLSA-N
MW146.19 g/mol
LogP-0.18
Rot. Bonds1

About (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 88958655) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID88958655
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C=c1/cccc/c1=C/N
InChIInChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10/h2-7H,1,10H2/b8-6-,9-7-
InChIKeySQKQWBZJFUVLQP-VRHVFUOLSA-N
XLogP-0.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (CID 88958655) is (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is C=N/C=c1/cccc/c1=C/N.
What is the InChIKey of (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is SQKQWBZJFUVLQP-VRHVFUOLSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-7-9-5-3-2-4-8(9)6-10/h2-7H,1,10H2/b8-6-,9-7-.
What are the key properties of (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
(Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 146.19 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(6Z)-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 88958655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).