N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine

C15H18N2 — CID 57233484

IUPACN-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine
SMILESCN(C)N=C1C=CC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2/c1-17(2)16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyWHMNDBCUAGODIA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.34
Rot. Bonds2

About N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine

N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine (PubChem CID 57233484) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine
PubChem CID57233484
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine
SMILESCN(C)N=C1C=CC(=Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2/c1-17(2)16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3
InChIKeyWHMNDBCUAGODIA-UHFFFAOYSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine?
The IUPAC name of N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine (CID 57233484) is N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine.
What is the SMILES notation for N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine?
The canonical SMILES for N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine is CN(C)N=C1C=CC(=Cc2ccccc2)CC1.
What is the InChIKey of N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine?
The InChIKey is WHMNDBCUAGODIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17(2)16-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine?
N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine has a molecular weight of 226.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 57233484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).