N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

C19H25N3 — CID 169382052

IUPACN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(C)Cc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C19H25N3/c1-3-4-13-22(2)16-18-10-8-9-17(14-18)15-20-21-19-11-6-5-7-12-19/h5-12,14-15,21H,3-4,13,16H2,1-2H3
InChIKeyLYPHJHDUBLBCGA-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.36
Rot. Bonds8

About N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (PubChem CID 169382052) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
PubChem CID169382052
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(C)Cc1cccc(C=NNc2ccccc2)c1
InChIInChI=1S/C19H25N3/c1-3-4-13-22(2)16-18-10-8-9-17(14-18)15-20-21-19-11-6-5-7-12-19/h5-12,14-15,21H,3-4,13,16H2,1-2H3
InChIKeyLYPHJHDUBLBCGA-UHFFFAOYSA-N
XLogP4.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
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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Related Compounds

N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617446
N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382076
N-[[3-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382060
2-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]guanidine
CID 168590771
N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382063
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
N-[[3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 169381897
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (CID 169382052) is N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is CCCCN(C)Cc1cccc(C=NNc2ccccc2)c1.
What is the InChIKey of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The InChIKey is LYPHJHDUBLBCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-4-13-22(2)16-18-10-8-9-17(14-18)15-20-21-19-11-6-5-7-12-19/h5-12,14-15,21H,3-4,13,16H2,1-2H3.
What are the key properties of N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline has a molecular weight of 295.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).