cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine

C7H14IN — CID 163591567

IUPACcis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine
SMILESCC[C@@H]1CCC(N)[C@@H]1I
InChIInChI=1S/C7H14IN/c1-2-5-3-4-6(9)7(5)8/h5-7H,2-4,9H2,1H3/t5-,6?,7-/m1/s1
InChIKeyGPYFBMRIPPPZEF-YFBHCESUSA-N
MW239.10 g/mol
LogP1.94
Rot. Bonds1

About cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine

cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine (PubChem CID 163591567) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine
PubChem CID163591567
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC Namecis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine
SMILESCC[C@@H]1CCC(N)[C@@H]1I
InChIInChI=1S/C7H14IN/c1-2-5-3-4-6(9)7(5)8/h5-7H,2-4,9H2,1H3/t5-,6?,7-/m1/s1
InChIKeyGPYFBMRIPPPZEF-YFBHCESUSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.94
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'}

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Related Compounds

trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 164599276
6-amino-3-ethyl-2-methylcyclohexan-1-ol
CID 156818437
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
CID 67929401
(2-ethylcyclobutyl)methanamine
CID 58519219
ethane;2-ethyl-5-methylcyclopentan-1-amine
CID 176686280
1,3-diethyl-2-methylcyclopentane
CID 123589151
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
(3R,4S)-3-ethyl-4-iodopiperidine
CID 134386985
1-ethyl-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 167543521
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
(3R,4R)-3-ethyl-4-iodopyrrolidine
CID 134386947

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine?
The IUPAC name of cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine (CID 163591567) is cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine.
What is the SMILES notation for cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine?
The canonical SMILES for cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine is CC[C@@H]1CCC(N)[C@@H]1I.
What is the InChIKey of cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine?
The InChIKey is GPYFBMRIPPPZEF-YFBHCESUSA-N. The full InChI is InChI=1S/C7H14IN/c1-2-5-3-4-6(9)7(5)8/h5-7H,2-4,9H2,1H3/t5-,6?,7-/m1/s1.
What are the key properties of cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine?
cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine has a molecular weight of 239.10 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-3-ethyl-2-iodocyclopentan-1-amine is sourced from PubChem (CID 163591567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).