N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine

C10H19N3 — CID 118609539

IUPACN-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)/N=N/C1=CCCCC1
InChIInChI=1S/C10H19N3/c1-9(2)13(3)12-11-10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b12-11+
InChIKeyFOZHKBQPNZNNEP-VAWYXSNFSA-N
MW181.28 g/mol
LogP3.15
Rot. Bonds3

About N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine

N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine (PubChem CID 118609539) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine
PubChem CID118609539
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)/N=N/C1=CCCCC1
InChIInChI=1S/C10H19N3/c1-9(2)13(3)12-11-10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b12-11+
InChIKeyFOZHKBQPNZNNEP-VAWYXSNFSA-N
XLogP3.15
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.15
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-methylpropan-2-amine?
The IUPAC name of N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine (CID 118609539) is N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine is CC(C)N(C)/N=N/C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine?
The InChIKey is FOZHKBQPNZNNEP-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)13(3)12-11-10-7-5-4-6-8-10/h7,9H,4-6,8H2,1-3H3/b12-11+.
What are the key properties of N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine?
N-(cyclohexen-1-yldiazenyl)-N-methylpropan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 3.15, 3 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-methylpropan-2-amine is sourced from PubChem (CID 118609539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).