1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid

C11H20N4O2 — CID 66190289

IUPAC1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H20N4O2/c1-9-5-2-3-6-11(9,10(16)17)13-7-4-8-14-15-12/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyOIOMBTRKNJVPPF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.31
Rot. Bonds6

About 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid

1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 66190289) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID66190289
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C11H20N4O2/c1-9-5-2-3-6-11(9,10(16)17)13-7-4-8-14-15-12/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyOIOMBTRKNJVPPF-UHFFFAOYSA-N
XLogP2.31
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid (CID 66190289) is 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NCCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is OIOMBTRKNJVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9-5-2-3-6-11(9,10(16)17)13-7-4-8-14-15-12/h9,13H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 240.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 66190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).