N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

C19H25N3 — CID 169382076

IUPACN-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(C)Cc1ccccc1C=NNc1ccccc1
InChIInChI=1S/C19H25N3/c1-3-4-14-22(2)16-18-11-9-8-10-17(18)15-20-21-19-12-6-5-7-13-19/h5-13,15,21H,3-4,14,16H2,1-2H3
InChIKeyMCDIKMYSNHVUSB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.36
Rot. Bonds8

About N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline

N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (PubChem CID 169382076) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
PubChem CID169382076
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(C)Cc1ccccc1C=NNc1ccccc1
InChIInChI=1S/C19H25N3/c1-3-4-14-22(2)16-18-11-9-8-10-17(18)15-20-21-19-12-6-5-7-13-19/h5-13,15,21H,3-4,14,16H2,1-2H3
InChIKeyMCDIKMYSNHVUSB-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

2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382052
N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382063
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
CID 136836361
(E)-3-[2-[[methyl(propyl)amino]methyl]phenyl]prop-2-enoic acid
CID 94233054
N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline
CID 169382151
2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
[2-[[methyl(pentyl)amino]methyl]phenyl]boronic acid
CID 54970480
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline (CID 169382076) is N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is CCCCN(C)Cc1ccccc1C=NNc1ccccc1.
What is the InChIKey of N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
The InChIKey is MCDIKMYSNHVUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-4-14-22(2)16-18-11-9-8-10-17(18)15-20-21-19-12-6-5-7-13-19/h5-13,15,21H,3-4,14,16H2,1-2H3.
What are the key properties of N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline?
N-[[2-[[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-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).