(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine

C15H27N — CID 170439916

IUPAC(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCCC[C@@H]1CCC[C@@]2(C1)[C@H]1CCC(C1)[C@@H]2N
InChIInChI=1S/C15H27N/c1-2-4-11-5-3-8-15(10-11)13-7-6-12(9-13)14(15)16/h11-14H,2-10,16H2,1H3/t11-,12?,13+,14+,15-/m1/s1
InChIKeyYCEAUDMXRAMBTG-NAEJHUAPSA-N
MW221.39 g/mol
LogP3.72
Rot. Bonds2

About (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine

(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (PubChem CID 170439916) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
PubChem CID170439916
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCCC[C@@H]1CCC[C@@]2(C1)[C@H]1CCC(C1)[C@@H]2N
InChIInChI=1S/C15H27N/c1-2-4-11-5-3-8-15(10-11)13-7-6-12(9-13)14(15)16/h11-14H,2-10,16H2,1H3/t11-,12?,13+,14+,15-/m1/s1
InChIKeyYCEAUDMXRAMBTG-NAEJHUAPSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine with MolForge

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Related Compounds

(1R,2R,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439838
(2S,3R,3'S,4S)-3'-ethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439902
(1R,2R,3R,3'R,4S)-3'-(aminomethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439997
[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
CID 170440223
(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833635
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
ethyl (1R,1'R,2R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxylate
CID 170440032
ethyl (1'S,2S,3R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxylate
CID 167144778
ethyl (1'S,2S,3S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxylate
CID 170440321
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383

Frequently Asked Questions

What is the IUPAC name of (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The IUPAC name of (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (CID 170439916) is (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.
What is the SMILES notation for (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The canonical SMILES for (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is CCC[C@@H]1CCC[C@@]2(C1)[C@H]1CCC(C1)[C@@H]2N.
What is the InChIKey of (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The InChIKey is YCEAUDMXRAMBTG-NAEJHUAPSA-N. The full InChI is InChI=1S/C15H27N/c1-2-4-11-5-3-8-15(10-11)13-7-6-12(9-13)14(15)16/h11-14H,2-10,16H2,1H3/t11-,12?,13+,14+,15-/m1/s1.
What are the key properties of (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is sourced from PubChem (CID 170439916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).