N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline

C20H27N3 — CID 169382063

IUPACN-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(CC)Cc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H27N3/c1-3-5-15-23(4-2)17-19-13-11-18(12-14-19)16-21-22-20-9-7-6-8-10-20/h6-14,16,22H,3-5,15,17H2,1-2H3
InChIKeyLXSVHQCDHNAANF-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.75
Rot. Bonds9

About N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline

N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline (PubChem CID 169382063) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline
PubChem CID169382063
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline
SMILESCCCCN(CC)Cc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H27N3/c1-3-5-15-23(4-2)17-19-13-11-18(12-14-19)16-21-22-20-9-7-6-8-10-20/h6-14,16,22H,3-5,15,17H2,1-2H3
InChIKeyLXSVHQCDHNAANF-UHFFFAOYSA-N
XLogP4.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.75
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-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626169
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382052
N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382076
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
5-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598020
N-[[3-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]aniline
CID 169382060
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
CID 169381951

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline (CID 169382063) is N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline is CCCCN(CC)Cc1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline?
The InChIKey is LXSVHQCDHNAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-5-15-23(4-2)17-19-13-11-18(12-14-19)16-21-22-20-9-7-6-8-10-20/h6-14,16,22H,3-5,15,17H2,1-2H3.
What are the key properties of N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline?
N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline has a molecular weight of 309.46 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).