N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline

C15H23N3 — CID 163554773

IUPACN-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline
SMILESCCCC/N=N/C(C)/C=C(/C)Nc1ccccc1
InChIInChI=1S/C15H23N3/c1-4-5-11-16-18-14(3)12-13(2)17-15-9-7-6-8-10-15/h6-10,12,14,17H,4-5,11H2,1-3H3/b13-12-,18-16+
InChIKeyFMCFCZWNQSRGFI-NNYYZMIXSA-N
MW245.37 g/mol
LogP4.64
Rot. Bonds7

About N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline

N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline (PubChem CID 163554773) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline
PubChem CID163554773
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline
SMILESCCCC/N=N/C(C)/C=C(/C)Nc1ccccc1
InChIInChI=1S/C15H23N3/c1-4-5-11-16-18-14(3)12-13(2)17-15-9-7-6-8-10-15/h6-10,12,14,17H,4-5,11H2,1-3H3/b13-12-,18-16+
InChIKeyFMCFCZWNQSRGFI-NNYYZMIXSA-N
XLogP4.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]aniline
CID 143656340
(Z)-4-anilino-1,1,1-trifluoropent-3-en-2-ol
CID 101380706
1-(octanoylamino)-3-phenylurea
CID 5130887
2-dodecyl-1-phenylguanidine
CID 101076594
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
CID 102183078
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
N-[(E)-4-methylpent-2-en-2-yl]-N'-pentyl-2-(4-phenylanilino)benzenecarboximidamide
CID 142127156
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
(E)-3-anilinobut-2-enoic acid
CID 89350388

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline?
The IUPAC name of N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline (CID 163554773) is N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline.
What is the SMILES notation for N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline?
The canonical SMILES for N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline is CCCC/N=N/C(C)/C=C(/C)Nc1ccccc1.
What is the InChIKey of N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline?
The InChIKey is FMCFCZWNQSRGFI-NNYYZMIXSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-11-16-18-14(3)12-13(2)17-15-9-7-6-8-10-15/h6-10,12,14,17H,4-5,11H2,1-3H3/b13-12-,18-16+.
What are the key properties of N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline?
N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline has a molecular weight of 245.37 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(butyldiazenyl)pent-2-en-2-yl]aniline is sourced from PubChem (CID 163554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).