N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline

C20H26N2 — CID 126561137

IUPACN-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline
SMILESCC/C(=C\C(C)c1ccccc1NCc1ccccc1)NC
InChIInChI=1S/C20H26N2/c1-4-18(21-3)14-16(2)19-12-8-9-13-20(19)22-15-17-10-6-5-7-11-17/h5-14,16,21-22H,4,15H2,1-3H3/b18-14+
InChIKeyRTFWWNAFSRWLPV-NBVRZTHBSA-N
MW294.44 g/mol
LogP4.92
Rot. Bonds7

About N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline

N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline (PubChem CID 126561137) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline.

Molecular Properties

Compound NameN-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline
PubChem CID126561137
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline
SMILESCC/C(=C\C(C)c1ccccc1NCc1ccccc1)NC
InChIInChI=1S/C20H26N2/c1-4-18(21-3)14-16(2)19-12-8-9-13-20(19)22-15-17-10-6-5-7-11-17/h5-14,16,21-22H,4,15H2,1-3H3/b18-14+
InChIKeyRTFWWNAFSRWLPV-NBVRZTHBSA-N
XLogP4.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline?
The IUPAC name of N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline (CID 126561137) is N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline.
What is the SMILES notation for N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline?
The canonical SMILES for N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline is CC/C(=C\C(C)c1ccccc1NCc1ccccc1)NC.
What is the InChIKey of N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline?
The InChIKey is RTFWWNAFSRWLPV-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H26N2/c1-4-18(21-3)14-16(2)19-12-8-9-13-20(19)22-15-17-10-6-5-7-11-17/h5-14,16,21-22H,4,15H2,1-3H3/b18-14+.
What are the key properties of N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline?
N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline has a molecular weight of 294.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(E)-4-(methylamino)hex-3-en-2-yl]aniline is sourced from PubChem (CID 126561137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).