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

C14H25NO — CID 164833635

IUPAC(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCOC[C@@H]1CCC[C@]2(C1)[C@@H]1CC[C@@H](C1)[C@H]2N
InChIInChI=1S/C14H25NO/c1-16-9-10-3-2-6-14(8-10)12-5-4-11(7-12)13(14)15/h10-13H,2-9,15H2,1H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeySJDPJLCJEKYVMS-ITGHMWBKSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds2

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

(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (PubChem CID 164833635) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
PubChem CID164833635
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESCOC[C@@H]1CCC[C@]2(C1)[C@@H]1CC[C@@H](C1)[C@H]2N
InChIInChI=1S/C14H25NO/c1-16-9-10-3-2-6-14(8-10)12-5-4-11(7-12)13(14)15/h10-13H,2-9,15H2,1H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeySJDPJLCJEKYVMS-ITGHMWBKSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The IUPAC name of (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (CID 164833635) is (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.
What is the SMILES notation for (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The canonical SMILES for (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is COC[C@@H]1CCC[C@]2(C1)[C@@H]1CC[C@@H](C1)[C@H]2N.
What is the InChIKey of (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The InChIKey is SJDPJLCJEKYVMS-ITGHMWBKSA-N. The full InChI is InChI=1S/C14H25NO/c1-16-9-10-3-2-6-14(8-10)12-5-4-11(7-12)13(14)15/h10-13H,2-9,15H2,1H3/t10-,11+,12-,13-,14+/m1/s1.
What are the key properties of (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is sourced from PubChem (CID 164833635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).