CID 102504769

C9H19N2 — CID 102504769

IUPAC—
SMILES[CH2]CC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C9H19N2/c1-7-9(5,6)11-10-8(2,3)4/h1,7H2,2-6H3/b11-10+
InChIKeyJAQZYTNEKKEUQP-ZHACJKMWSA-N
MW155.26 g/mol
LogP3.24
Rot. Bonds2

About CID 102504769

CID 102504769 (PubChem CID 102504769) has the molecular formula C9H19N2 and a molecular weight of 155.26 g/mol.

Molecular Properties

Compound NameCID 102504769
PubChem CID102504769
Molecular FormulaC9H19N2
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Name—
SMILES[CH2]CC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C9H19N2/c1-7-9(5,6)11-10-8(2,3)4/h1,7H2,2-6H3/b11-10+
InChIKeyJAQZYTNEKKEUQP-ZHACJKMWSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 53.24
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 CID 102504769?
The IUPAC name of CID 102504769 (CID 102504769) is not available.
What is the SMILES notation for CID 102504769?
The canonical SMILES for CID 102504769 is [CH2]CC(C)(C)/N=N/C(C)(C)C.
What is the InChIKey of CID 102504769?
The InChIKey is JAQZYTNEKKEUQP-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H19N2/c1-7-9(5,6)11-10-8(2,3)4/h1,7H2,2-6H3/b11-10+.
What are the key properties of CID 102504769?
CID 102504769 has a molecular weight of 155.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102504769 is sourced from PubChem (CID 102504769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).