1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine

C24H32N2O — CID 67864835

IUPAC1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine
SMILESCNC.COC(C1=CC(=Cc2ccccc2)CC1)(c1ccccc1)N(C)C
InChIInChI=1S/C22H25NO.C2H7N/c1-23(2)22(24-3,20-12-8-5-9-13-20)21-15-14-19(17-21)16-18-10-6-4-7-11-18;1-3-2/h4-13,16-17H,14-15H2,1-3H3;3H,1-2H3
InChIKeyZVGNUKNLXUHKAL-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.69
Rot. Bonds5

About 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine

1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine (PubChem CID 67864835) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine.

Molecular Properties

Compound Name1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine
PubChem CID67864835
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine
SMILESCNC.COC(C1=CC(=Cc2ccccc2)CC1)(c1ccccc1)N(C)C
InChIInChI=1S/C22H25NO.C2H7N/c1-23(2)22(24-3,20-12-8-5-9-13-20)21-15-14-19(17-21)16-18-10-6-4-7-11-18;1-3-2/h4-13,16-17H,14-15H2,1-3H3;3H,1-2H3
InChIKeyZVGNUKNLXUHKAL-UHFFFAOYSA-N
XLogP4.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine?
The IUPAC name of 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine (CID 67864835) is 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine.
What is the SMILES notation for 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine?
The canonical SMILES for 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine is CNC.COC(C1=CC(=Cc2ccccc2)CC1)(c1ccccc1)N(C)C.
What is the InChIKey of 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine?
The InChIKey is ZVGNUKNLXUHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.C2H7N/c1-23(2)22(24-3,20-12-8-5-9-13-20)21-15-14-19(17-21)16-18-10-6-4-7-11-18;1-3-2/h4-13,16-17H,14-15H2,1-3H3;3H,1-2H3.
What are the key properties of 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine?
1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine has a molecular weight of 364.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylidenecyclopenten-1-yl)-1-methoxy-N,N-dimethyl-1-phenylmethanamine;N-methylmethanamine is sourced from PubChem (CID 67864835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).