(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol

C16H25NO — CID 110129632

IUPAC(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol
SMILESC[C@@]1(CN)CCC[C@@H](O)C[C@H](c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-16(12-17)9-5-8-15(18)10-14(11-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,18H,5,8-12,17H2,1H3/t14-,15+,16+/m0/s1
InChIKeyARCQFPHXFOWMLI-ARFHVFGLSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds2

About (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol

(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol (PubChem CID 110129632) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol.

Molecular Properties

Compound Name(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol
PubChem CID110129632
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol
SMILESC[C@@]1(CN)CCC[C@@H](O)C[C@H](c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-16(12-17)9-5-8-15(18)10-14(11-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,18H,5,8-12,17H2,1H3/t14-,15+,16+/m0/s1
InChIKeyARCQFPHXFOWMLI-ARFHVFGLSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol?
The IUPAC name of (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol (CID 110129632) is (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol.
What is the SMILES notation for (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol?
The canonical SMILES for (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol is C[C@@]1(CN)CCC[C@@H](O)C[C@H](c2ccccc2)C1.
What is the InChIKey of (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol?
The InChIKey is ARCQFPHXFOWMLI-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(12-17)9-5-8-15(18)10-14(11-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,18H,5,8-12,17H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol?
(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol is sourced from PubChem (CID 110129632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).