4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene

C15H26N2 — CID 123918905

IUPAC4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene
SMILES[H]/N=N/C(CC)C(CC)C1=CCC(C(=C)C)CC1
InChIInChI=1S/C15H26N2/c1-5-14(15(6-2)17-16)13-9-7-12(8-10-13)11(3)4/h9,12,14-16H,3,5-8,10H2,1-2,4H3/b17-16+
InChIKeyBRKBVWIOHVIAJK-WUKNDPDISA-N
MW234.39 g/mol
LogP5.12
Rot. Bonds6

About 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene

4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene (PubChem CID 123918905) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene.

Molecular Properties

Compound Name4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene
PubChem CID123918905
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene
SMILES[H]/N=N/C(CC)C(CC)C1=CCC(C(=C)C)CC1
InChIInChI=1S/C15H26N2/c1-5-14(15(6-2)17-16)13-9-7-12(8-10-13)11(3)4/h9,12,14-16H,3,5-8,10H2,1-2,4H3/b17-16+
InChIKeyBRKBVWIOHVIAJK-WUKNDPDISA-N
XLogP5.12
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(2-Azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
CID 134860258
3-(Azidomethyl)-1-ethylcyclohexene
CID 18621673
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
1-(2-azidopropyl)-7-propan-2-yl-4,5-dihydro-1H-indene
CID 57178472
1-[(2S)-2-azidopropyl]-7-propan-2-yl-4,5-dihydro-1H-indene
CID 57221120
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(3R,4S,5S)-3-azido-1,4-dimethyl-5-prop-2-enylcyclohexene
CID 59076472
(3S,4S,5S)-5-azido-1,4-dimethyl-3-prop-2-enylcyclohexene
CID 59076509
(3S,4S,5S)-5-azido-3-ethenyl-1,4-dimethylcyclohexene
CID 59076562
1-(4-Ethylcyclohexen-1-yl)propan-2-amine
CID 67556058
(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine
CID 70312685
4-Butan-2-ylcyclohex-3-en-1-amine
CID 83261784

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene?
The IUPAC name of 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene (CID 123918905) is 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene.
What is the SMILES notation for 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene?
The canonical SMILES for 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene is [H]/N=N/C(CC)C(CC)C1=CCC(C(=C)C)CC1.
What is the InChIKey of 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene?
The InChIKey is BRKBVWIOHVIAJK-WUKNDPDISA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(15(6-2)17-16)13-9-7-12(8-10-13)11(3)4/h9,12,14-16H,3,5-8,10H2,1-2,4H3/b17-16+.
What are the key properties of 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene?
4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene has a molecular weight of 234.39 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-1-en-2-ylcyclohexen-1-yl)hexan-3-yldiazene is sourced from PubChem (CID 123918905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).