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

C12H21N — CID 164833383

IUPAC(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESC[C@H]1CC[C@@]2(C1)[C@@H]1CC[C@@H](C1)[C@@H]2N
InChIInChI=1S/C12H21N/c1-8-4-5-12(7-8)10-3-2-9(6-10)11(12)13/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12+/m0/s1
InChIKeyKXMRHABJTRQYIY-HHHUOAJASA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds

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

(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (PubChem CID 164833383) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Name(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
PubChem CID164833383
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESC[C@H]1CC[C@@]2(C1)[C@@H]1CC[C@@H](C1)[C@@H]2N
InChIInChI=1S/C12H21N/c1-8-4-5-12(7-8)10-3-2-9(6-10)11(12)13/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12+/m0/s1
InChIKeyKXMRHABJTRQYIY-HHHUOAJASA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-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

(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833645
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833743
(2S,3R,3'S,4S)-3'-ethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439902
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862
(1R,2R,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439838
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439916
(1R,2R,3R,3'R,4S)-3'-(aminomethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439997

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The IUPAC name of (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (CID 164833383) is (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.
What is the SMILES notation for (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The canonical SMILES for (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is C[C@H]1CC[C@@]2(C1)[C@@H]1CC[C@@H](C1)[C@@H]2N.
What is the InChIKey of (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The InChIKey is KXMRHABJTRQYIY-HHHUOAJASA-N. The full InChI is InChI=1S/C12H21N/c1-8-4-5-12(7-8)10-3-2-9(6-10)11(12)13/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12+/m0/s1.
What are the key properties of (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is sourced from PubChem (CID 164833383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).