cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine

C7H12IN — CID 130198454

IUPACcis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine
SMILESNC1C[C@H](I)[C@@H]1C1CC1
InChIInChI=1S/C7H12IN/c8-5-3-6(9)7(5)4-1-2-4/h4-7H,1-3,9H2/t5-,6?,7-/m0/s1
InChIKeyYCBYWHHRCOXWLP-LOJRBXKRSA-N
MW237.08 g/mol
LogP1.55
Rot. Bonds1

About cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine

cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine (PubChem CID 130198454) has the molecular formula C7H12IN and a molecular weight of 237.08 g/mol. Its IUPAC name is cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine.

Molecular Properties

Compound Namecis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine
PubChem CID130198454
Molecular FormulaC7H12IN
Molecular Weight237.08 g/mol
Exact Mass237.00
IUPAC Namecis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine
SMILESNC1C[C@H](I)[C@@H]1C1CC1
InChIInChI=1S/C7H12IN/c8-5-3-6(9)7(5)4-1-2-4/h4-7H,1-3,9H2/t5-,6?,7-/m0/s1
InChIKeyYCBYWHHRCOXWLP-LOJRBXKRSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
(1R,4S,5R,8R)-5-aminobicyclo[6.1.0]nonan-4-ol
CID 125454997
cis-(1S,2R)-2-iodocyclopentan-1-amine
CID 90228959
bicyclo[2.2.2]octan-2-amine
CID 13239288
bicyclo[3.2.0]heptan-3-amine
CID 53402094
2-iodo-4-methylcyclohexan-1-amine
CID 163524307
bicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 78172525
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
[(2S)-2-iodocyclopropyl]methanol
CID 122684903
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
4-(4-amino-3-chlorocyclohexyl)-2-chlorocyclohexan-1-amine
CID 44557967

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine?
The IUPAC name of cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine (CID 130198454) is cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine.
What is the SMILES notation for cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine?
The canonical SMILES for cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine is NC1C[C@H](I)[C@@H]1C1CC1.
What is the InChIKey of cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine?
The InChIKey is YCBYWHHRCOXWLP-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H12IN/c8-5-3-6(9)7(5)4-1-2-4/h4-7H,1-3,9H2/t5-,6?,7-/m0/s1.
What are the key properties of cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine?
cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine has a molecular weight of 237.08 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-cyclopropyl-3-iodocyclobutan-1-amine is sourced from PubChem (CID 130198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).