N,N-dibutyl-4-methanehydrazonoylaniline

C15H25N3 — CID 168529188

IUPACN,N-dibutyl-4-methanehydrazonoylaniline
SMILESCCCCN(CCCC)c1ccc(C=NN)cc1
InChIInChI=1S/C15H25N3/c1-3-5-11-18(12-6-4-2)15-9-7-14(8-10-15)13-17-16/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyQNPAFCPOCDODQN-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.39
Rot. Bonds8

About N,N-dibutyl-4-methanehydrazonoylaniline

N,N-dibutyl-4-methanehydrazonoylaniline (PubChem CID 168529188) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dibutyl-4-methanehydrazonoylaniline.

Molecular Properties

Compound NameN,N-dibutyl-4-methanehydrazonoylaniline
PubChem CID168529188
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dibutyl-4-methanehydrazonoylaniline
SMILESCCCCN(CCCC)c1ccc(C=NN)cc1
InChIInChI=1S/C15H25N3/c1-3-5-11-18(12-6-4-2)15-9-7-14(8-10-15)13-17-16/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyQNPAFCPOCDODQN-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-[(E)-[4-(dibutylamino)phenyl]methylideneamino]guanidine
CID 87880623
4-(dibutylamino)benzaldehyde
CID 605391
2,3-bis[[4-(dibutylamino)phenyl]methylideneamino]but-2-enedinitrile
CID 71374741
2,4,6-tris[2-[4-[2-[4-(dibutylamino)phenyl]ethenyl]phenyl]ethenyl]benzene-1,3,5-tricarbonitrile
CID 91322161
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-dibutyl-4-fluoroaniline
CID 15399711
benzyl N'-[[4-(dibutylamino)phenyl]methylideneamino]carbamimidothioate
CID 168611325
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
N-[(E)-[4-(dibutylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647559

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-methanehydrazonoylaniline?
The IUPAC name of N,N-dibutyl-4-methanehydrazonoylaniline (CID 168529188) is N,N-dibutyl-4-methanehydrazonoylaniline.
What is the SMILES notation for N,N-dibutyl-4-methanehydrazonoylaniline?
The canonical SMILES for N,N-dibutyl-4-methanehydrazonoylaniline is CCCCN(CCCC)c1ccc(C=NN)cc1.
What is the InChIKey of N,N-dibutyl-4-methanehydrazonoylaniline?
The InChIKey is QNPAFCPOCDODQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-5-11-18(12-6-4-2)15-9-7-14(8-10-15)13-17-16/h7-10,13H,3-6,11-12,16H2,1-2H3.
What are the key properties of N,N-dibutyl-4-methanehydrazonoylaniline?
N,N-dibutyl-4-methanehydrazonoylaniline has a molecular weight of 247.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-methanehydrazonoylaniline is sourced from PubChem (CID 168529188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).