N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide

C15H23N3O — CID 146577248

IUPACN-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide
SMILESCCC/C(=N\NC=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H23N3O/c1-4-7-15(17-16-12-19)13-8-10-14(11-9-13)18(5-2)6-3/h8-12H,4-7H2,1-3H3,(H,16,19)/b17-15+
InChIKeyMCNAHBXAMGLOOO-BMRADRMJSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds8

About N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide

N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide (PubChem CID 146577248) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide
PubChem CID146577248
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide
SMILESCCC/C(=N\NC=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H23N3O/c1-4-7-15(17-16-12-19)13-8-10-14(11-9-13)18(5-2)6-3/h8-12H,4-7H2,1-3H3,(H,16,19)/b17-15+
InChIKeyMCNAHBXAMGLOOO-BMRADRMJSA-N
XLogP2.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
(4E)-4-[4-(diethylamino)phenyl]-3-methyl-4-(methylhydrazinylidene)butanal
CID 126595892
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
3-[4-(diethylamino)-N-propylanilino]propanoic acid
CID 82317732
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline
CID 142916873

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide?
The IUPAC name of N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide (CID 146577248) is N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide.
What is the SMILES notation for N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide?
The canonical SMILES for N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide is CCC/C(=N\NC=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide?
The InChIKey is MCNAHBXAMGLOOO-BMRADRMJSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-7-15(17-16-12-19)13-8-10-14(11-9-13)18(5-2)6-3/h8-12H,4-7H2,1-3H3,(H,16,19)/b17-15+.
What are the key properties of N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide?
N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide has a molecular weight of 261.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(diethylamino)phenyl]butylideneamino]formamide is sourced from PubChem (CID 146577248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).