(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine

C14H24IN — CID 163943692

IUPAC(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine
SMILESCCC1C(N)CC2(C3CCC3C[C@H]2C)[C@H]1I
InChIInChI=1S/C14H24IN/c1-3-10-12(16)7-14(13(10)15)8(2)6-9-4-5-11(9)14/h8-13H,3-7,16H2,1-2H3/t8-,9?,10?,11?,12?,13+,14?/m1/s1
InChIKeyRTGBYKKJNBCIDZ-ZOSDIUFLSA-N
MW333.26 g/mol
LogP3.60
Rot. Bonds1

About (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine

(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine (PubChem CID 163943692) has the molecular formula C14H24IN and a molecular weight of 333.26 g/mol. Its IUPAC name is (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine.

Molecular Properties

Compound Name(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine
PubChem CID163943692
Molecular FormulaC14H24IN
Molecular Weight333.26 g/mol
Exact Mass333.10
IUPAC Name(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine
SMILESCCC1C(N)CC2(C3CCC3C[C@H]2C)[C@H]1I
InChIInChI=1S/C14H24IN/c1-3-10-12(16)7-14(13(10)15)8(2)6-9-4-5-11(9)14/h8-13H,3-7,16H2,1-2H3/t8-,9?,10?,11?,12?,13+,14?/m1/s1
InChIKeyRTGBYKKJNBCIDZ-ZOSDIUFLSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.60
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

cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
CID 167142700
3-ethylbicyclo[2.2.1]heptan-2-amine
CID 20590601
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
5-ethyl-1,2,7-trimethylspiro[2.4]heptane
CID 123662454
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
CID 67929401
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
2-[2-(aminomethyl)-7-ethyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355878
7-methyltricyclo[3.2.2.01,4]nonane-2-thiol
CID 134438038

Frequently Asked Questions

What is the IUPAC name of (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine?
The IUPAC name of (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine (CID 163943692) is (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine.
What is the SMILES notation for (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine?
The canonical SMILES for (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine is CCC1C(N)CC2(C3CCC3C[C@H]2C)[C@H]1I.
What is the InChIKey of (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine?
The InChIKey is RTGBYKKJNBCIDZ-ZOSDIUFLSA-N. The full InChI is InChI=1S/C14H24IN/c1-3-10-12(16)7-14(13(10)15)8(2)6-9-4-5-11(9)14/h8-13H,3-7,16H2,1-2H3/t8-,9?,10?,11?,12?,13+,14?/m1/s1.
What are the key properties of (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine?
(3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine has a molecular weight of 333.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'S)-2'-ethyl-3'-iodo-3-methylspiro[bicyclo[3.2.0]heptane-2,4'-cyclopentane]-1'-amine is sourced from PubChem (CID 163943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).