butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene

C10H20N2 — CID 170345029

IUPACbutan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene
SMILESC/C=C(\N=N\C(C)CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-9(5)11-12-10(7-2)8(3)4/h7-9H,6H2,1-5H3/b10-7-,12-11+
InChIKeyYAURHJQPWYAWBL-UPXUIUAPSA-N
MW168.28 g/mol
LogP3.80
Rot. Bonds4

About butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene

butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene (PubChem CID 170345029) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene.

Molecular Properties

Compound Namebutan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene
PubChem CID170345029
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Namebutan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene
SMILESC/C=C(\N=N\C(C)CC)C(C)C
InChIInChI=1S/C10H20N2/c1-6-9(5)11-12-10(7-2)8(3)4/h7-9H,6H2,1-5H3/b10-7-,12-11+
InChIKeyYAURHJQPWYAWBL-UPXUIUAPSA-N
XLogP3.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The IUPAC name of butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene (CID 170345029) is butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene.
What is the SMILES notation for butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The canonical SMILES for butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene is C/C=C(\N=N\C(C)CC)C(C)C.
What is the InChIKey of butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The InChIKey is YAURHJQPWYAWBL-UPXUIUAPSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-9(5)11-12-10(7-2)8(3)4/h7-9H,6H2,1-5H3/b10-7-,12-11+.
What are the key properties of butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene?
butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene has a molecular weight of 168.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[(Z)-4-methylpent-2-en-3-yl]diazene is sourced from PubChem (CID 170345029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).