[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene

C13H24N4 — CID 134406811

IUPAC[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene
SMILESC=CC(/N=N/C(C)=C\C)N1CCCN(C)CC1
InChIInChI=1S/C13H24N4/c1-5-12(3)14-15-13(6-2)17-9-7-8-16(4)10-11-17/h5-6,13H,2,7-11H2,1,3-4H3/b12-5-,15-14+
InChIKeyDQMNIFYBIYYOAG-PDLDLSOBSA-N
MW236.36 g/mol
LogP2.51
Rot. Bonds4

About [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene

[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene (PubChem CID 134406811) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene.

Molecular Properties

Compound Name[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene
PubChem CID134406811
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene
SMILESC=CC(/N=N/C(C)=C\C)N1CCCN(C)CC1
InChIInChI=1S/C13H24N4/c1-5-12(3)14-15-13(6-2)17-9-7-8-16(4)10-11-17/h5-6,13H,2,7-11H2,1,3-4H3/b12-5-,15-14+
InChIKeyDQMNIFYBIYYOAG-PDLDLSOBSA-N
XLogP2.51
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)butanoic acid
CID 79406804
ethane;formic acid;1-methylpiperidine
CID 142182164
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 71676779
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene?
The IUPAC name of [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene (CID 134406811) is [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene.
What is the SMILES notation for [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene?
The canonical SMILES for [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene is C=CC(/N=N/C(C)=C\C)N1CCCN(C)CC1.
What is the InChIKey of [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene?
The InChIKey is DQMNIFYBIYYOAG-PDLDLSOBSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-12(3)14-15-13(6-2)17-9-7-8-16(4)10-11-17/h5-6,13H,2,7-11H2,1,3-4H3/b12-5-,15-14+.
What are the key properties of [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene?
[(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene has a molecular weight of 236.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-en-2-yl]-[1-(4-methyl-1,4-diazepan-1-yl)prop-2-enyl]diazene is sourced from PubChem (CID 134406811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).