N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine

C12H23N3 — CID 118609548

IUPACN-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=N/C1=CCCCC1)C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15(11(3)4)14-13-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b14-13+
InChIKeyALKMDWYZPVRSAE-BUHFOSPRSA-N
MW209.34 g/mol
LogP3.93
Rot. Bonds4

About N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine

N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine (PubChem CID 118609548) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine
PubChem CID118609548
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/N=N/C1=CCCCC1)C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15(11(3)4)14-13-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b14-13+
InChIKeyALKMDWYZPVRSAE-BUHFOSPRSA-N
XLogP3.93
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.93
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine (CID 118609548) is N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine is CC(C)N(/N=N/C1=CCCCC1)C(C)C.
What is the InChIKey of N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is ALKMDWYZPVRSAE-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)15(11(3)4)14-13-12-8-6-5-7-9-12/h8,10-11H,5-7,9H2,1-4H3/b14-13+.
What are the key properties of N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine?
N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yldiazenyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 118609548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).