N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine

C10H18N2 — CID 18926378

IUPACN,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCN(C)C1C=CCC2CNCC21
InChIInChI=1S/C10H18N2/c1-12(2)10-5-3-4-8-6-11-7-9(8)10/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyBUYXVBOFHPFEIB-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.71
Rot. Bonds1

About N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine

N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine (PubChem CID 18926378) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
PubChem CID18926378
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCN(C)C1C=CCC2CNCC21
InChIInChI=1S/C10H18N2/c1-12(2)10-5-3-4-8-6-11-7-9(8)10/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyBUYXVBOFHPFEIB-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine 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 N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The IUPAC name of N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine (CID 18926378) is N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine.
What is the SMILES notation for N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The canonical SMILES for N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine is CN(C)C1C=CCC2CNCC21.
What is the InChIKey of N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The InChIKey is BUYXVBOFHPFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(2)10-5-3-4-8-6-11-7-9(8)10/h3,5,8-11H,4,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine has a molecular weight of 166.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine is sourced from PubChem (CID 18926378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).