1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine

C11H23N3 — CID 123708417

IUPAC1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine
SMILESC/N=N/NC(C)C1CC1C(C)C(C)C
InChIInChI=1S/C11H23N3/c1-7(2)8(3)10-6-11(10)9(4)13-14-12-5/h7-11H,6H2,1-5H3,(H,12,13)
InChIKeyMRENSANAJVTOJU-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine

1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine (PubChem CID 123708417) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine
PubChem CID123708417
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine
SMILESC/N=N/NC(C)C1CC1C(C)C(C)C
InChIInChI=1S/C11H23N3/c1-7(2)8(3)10-6-11(10)9(4)13-14-12-5/h7-11H,6H2,1-5H3,(H,12,13)
InChIKeyMRENSANAJVTOJU-UHFFFAOYSA-N
XLogP2.89
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.89
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine?
The IUPAC name of 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine (CID 123708417) is 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine.
What is the SMILES notation for 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine?
The canonical SMILES for 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine is C/N=N/NC(C)C1CC1C(C)C(C)C.
What is the InChIKey of 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine?
The InChIKey is MRENSANAJVTOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-7(2)8(3)10-6-11(10)9(4)13-14-12-5/h7-11H,6H2,1-5H3,(H,12,13).
What are the key properties of 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine?
1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine has a molecular weight of 197.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutan-2-yl)cyclopropyl]-N-(methyldiazenyl)ethanamine is sourced from PubChem (CID 123708417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).