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

C14H25N — CID 164833645

IUPAC(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCC1CCC2(CC1C)[C@H]1CCC(C1)[C@H]2N
InChIInChI=1S/C14H25N/c1-9-5-6-14(8-10(9)2)12-4-3-11(7-12)13(14)15/h9-13H,3-8,15H2,1-2H3/t9?,10?,11?,12-,13+,14?/m0/s1
InChIKeyJMPZGLUJFNDQMG-PXVSSIBLSA-N
MW207.36 g/mol
LogP3.19
Rot. Bonds

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

(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (PubChem CID 164833645) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
PubChem CID164833645
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCC1CCC2(CC1C)[C@H]1CCC(C1)[C@H]2N
InChIInChI=1S/C14H25N/c1-9-5-6-14(8-10(9)2)12-4-3-11(7-12)13(14)15/h9-13H,3-8,15H2,1-2H3/t9?,10?,11?,12-,13+,14?/m0/s1
InChIKeyJMPZGLUJFNDQMG-PXVSSIBLSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

(1R,2S,4R)-Born-2-ylamine
CID 32526
(R)-(+)-Bornylamine
CID 6553267
AGN 192403 hydrochloride
CID 2068
(1R,2R,3R,4S)-3-(propan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 6603701
(1R-exo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
CID 198024
1-{Tricyclo[3.3.1.0,3,7]nonan-3-yl}ethan-1-amine
CID 54582372
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-amine hydrochloride
CID 458423
N,1,7,7-Tetramethylbicyclo[2.2.1]heptan-2-amine
CID 31142
(1-Methylbicyclo[2.2.1]hept-2-yl)amine hydrochloride
CID 45926181
2-Norbornanamine, N,3,3-trimethyl-
CID 3021748
rac-endo-2-Bornanamin hydrochlorid [German]
CID 32525
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-amine
CID 418445

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The IUPAC name of (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (CID 164833645) is (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.
What is the SMILES notation for (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The canonical SMILES for (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is CC1CCC2(CC1C)[C@H]1CCC(C1)[C@H]2N.
What is the InChIKey of (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The InChIKey is JMPZGLUJFNDQMG-PXVSSIBLSA-N. The full InChI is InChI=1S/C14H25N/c1-9-5-6-14(8-10(9)2)12-4-3-11(7-12)13(14)15/h9-13H,3-8,15H2,1-2H3/t9?,10?,11?,12-,13+,14?/m0/s1.
What are the key properties of (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is sourced from PubChem (CID 164833645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).