(3R)-3-chloro-N-propan-2-ylbutan-2-imine

C7H14ClN — CID 102396350

IUPAC(3R)-3-chloro-N-propan-2-ylbutan-2-imine
SMILESC/C(=N\C(C)C)[C@@H](C)Cl
InChIInChI=1S/C7H14ClN/c1-5(2)9-7(4)6(3)8/h5-6H,1-4H3/b9-7+/t6-/m1/s1
InChIKeyORRYNFSJIDDJAA-LPWOPMKCSA-N
MW147.65 g/mol
LogP2.48
Rot. Bonds2

About (3R)-3-chloro-N-propan-2-ylbutan-2-imine

(3R)-3-chloro-N-propan-2-ylbutan-2-imine (PubChem CID 102396350) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (3R)-3-chloro-N-propan-2-ylbutan-2-imine.

Molecular Properties

Compound Name(3R)-3-chloro-N-propan-2-ylbutan-2-imine
PubChem CID102396350
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(3R)-3-chloro-N-propan-2-ylbutan-2-imine
SMILESC/C(=N\C(C)C)[C@@H](C)Cl
InChIInChI=1S/C7H14ClN/c1-5(2)9-7(4)6(3)8/h5-6H,1-4H3/b9-7+/t6-/m1/s1
InChIKeyORRYNFSJIDDJAA-LPWOPMKCSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R)-3-chloro-N-propan-2-ylbutan-2-imine 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 (3R)-3-chloro-N-propan-2-ylbutan-2-imine?
The IUPAC name of (3R)-3-chloro-N-propan-2-ylbutan-2-imine (CID 102396350) is (3R)-3-chloro-N-propan-2-ylbutan-2-imine.
What is the SMILES notation for (3R)-3-chloro-N-propan-2-ylbutan-2-imine?
The canonical SMILES for (3R)-3-chloro-N-propan-2-ylbutan-2-imine is C/C(=N\C(C)C)[C@@H](C)Cl.
What is the InChIKey of (3R)-3-chloro-N-propan-2-ylbutan-2-imine?
The InChIKey is ORRYNFSJIDDJAA-LPWOPMKCSA-N. The full InChI is InChI=1S/C7H14ClN/c1-5(2)9-7(4)6(3)8/h5-6H,1-4H3/b9-7+/t6-/m1/s1.
What are the key properties of (3R)-3-chloro-N-propan-2-ylbutan-2-imine?
(3R)-3-chloro-N-propan-2-ylbutan-2-imine has a molecular weight of 147.65 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-N-propan-2-ylbutan-2-imine is sourced from PubChem (CID 102396350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).