N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

C11H16N2 — CID 129138365

IUPACN-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C(C)=C(C)C(C)=C/C1=N/NC
InChIInChI=1S/C11H16N2/c1-7-6-11(13-12-5)10(4)9(3)8(7)2/h6,12H,4H2,1-3,5H3/b13-11-
InChIKeyIVWCEQIKHRLGNH-QBFSEMIESA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds1

About N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 129138365) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID129138365
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C(C)=C(C)C(C)=C/C1=N/NC
InChIInChI=1S/C11H16N2/c1-7-6-11(13-12-5)10(4)9(3)8(7)2/h6,12H,4H2,1-3,5H3/b13-11-
InChIKeyIVWCEQIKHRLGNH-QBFSEMIESA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 129138365) is N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=C1C(C)=C(C)C(C)=C/C1=N/NC.
What is the InChIKey of N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is IVWCEQIKHRLGNH-QBFSEMIESA-N. The full InChI is InChI=1S/C11H16N2/c1-7-6-11(13-12-5)10(4)9(3)8(7)2/h6,12H,4H2,1-3,5H3/b13-11-.
What are the key properties of N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 176.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 129138365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).