N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine

C14H20N2S — CID 142727780

IUPACN-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine
SMILESCC(/C=N/N(C)C)=C\C(C)Sc1ccccc1
InChIInChI=1S/C14H20N2S/c1-12(11-15-16(3)4)10-13(2)17-14-8-6-5-7-9-14/h5-11,13H,1-4H3/b12-10+,15-11+
InChIKeyOIXPKFMYROEAGM-NZWDAJRTSA-N
MW248.40 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine

N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine (PubChem CID 142727780) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine
PubChem CID142727780
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC NameN-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine
SMILESCC(/C=N/N(C)C)=C\C(C)Sc1ccccc1
InChIInChI=1S/C14H20N2S/c1-12(11-15-16(3)4)10-13(2)17-14-8-6-5-7-9-14/h5-11,13H,1-4H3/b12-10+,15-11+
InChIKeyOIXPKFMYROEAGM-NZWDAJRTSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine (CID 142727780) is N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine is CC(/C=N/N(C)C)=C\C(C)Sc1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine?
The InChIKey is OIXPKFMYROEAGM-NZWDAJRTSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12(11-15-16(3)4)10-13(2)17-14-8-6-5-7-9-14/h5-11,13H,1-4H3/b12-10+,15-11+.
What are the key properties of N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine?
N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine has a molecular weight of 248.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(E)-2-methyl-4-phenylsulfanylpent-2-enylidene]amino]methanamine is sourced from PubChem (CID 142727780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).