N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine

C6H13IN2 — CID 142114441

IUPACN-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine
SMILESC/C=N/N(C)C(C)(C)I
InChIInChI=1S/C6H13IN2/c1-5-8-9(4)6(2,3)7/h5H,1-4H3/b8-5+
InChIKeyKUHADFFKBRJVHK-VMPITWQZSA-N
MW240.09 g/mol
LogP2.10
Rot. Bonds2

About N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine

N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine (PubChem CID 142114441) has the molecular formula C6H13IN2 and a molecular weight of 240.09 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine
PubChem CID142114441
Molecular FormulaC6H13IN2
Molecular Weight240.09 g/mol
Exact Mass240.01
IUPAC NameN-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine
SMILESC/C=N/N(C)C(C)(C)I
InChIInChI=1S/C6H13IN2/c1-5-8-9(4)6(2,3)7/h5H,1-4H3/b8-5+
InChIKeyKUHADFFKBRJVHK-VMPITWQZSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-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-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine?
The IUPAC name of N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine (CID 142114441) is N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine.
What is the SMILES notation for N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine?
The canonical SMILES for N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine is C/C=N/N(C)C(C)(C)I.
What is the InChIKey of N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine?
The InChIKey is KUHADFFKBRJVHK-VMPITWQZSA-N. The full InChI is InChI=1S/C6H13IN2/c1-5-8-9(4)6(2,3)7/h5H,1-4H3/b8-5+.
What are the key properties of N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine?
N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine has a molecular weight of 240.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-2-iodo-N-methylpropan-2-amine is sourced from PubChem (CID 142114441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).