3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide

C9H17N5O — CID 175412599

IUPAC3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(N=[N+]=[N-])C(N)C1
InChIInChI=1S/C9H17N5O/c1-14(2)9(15)6-3-4-8(12-13-11)7(10)5-6/h6-8H,3-5,10H2,1-2H3
InChIKeyUJEKJEKFALUOSY-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.88
Rot. Bonds2

About 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide

3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 175412599) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID175412599
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(N=[N+]=[N-])C(N)C1
InChIInChI=1S/C9H17N5O/c1-14(2)9(15)6-3-4-8(12-13-11)7(10)5-6/h6-8H,3-5,10H2,1-2H3
InChIKeyUJEKJEKFALUOSY-UHFFFAOYSA-N
XLogP0.88
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide 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 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide (CID 175412599) is 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(N=[N+]=[N-])C(N)C1.
What is the InChIKey of 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is UJEKJEKFALUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14(2)9(15)6-3-4-8(12-13-11)7(10)5-6/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide?
3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-azido-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 175412599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).