(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol

C13H25NO — CID 155150925

IUPAC(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol
SMILESC=C(CC)[C@@]1(C)CCCCC[C@@H](O)[C@@H]1N
InChIInChI=1S/C13H25NO/c1-4-10(2)13(3)9-7-5-6-8-11(15)12(13)14/h11-12,15H,2,4-9,14H2,1,3H3/t11-,12+,13-/m1/s1
InChIKeyAYCDILNLOBZNKL-FRRDWIJNSA-N
MW211.35 g/mol
LogP2.61
Rot. Bonds2

About (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol

(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol (PubChem CID 155150925) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol
PubChem CID155150925
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol
SMILESC=C(CC)[C@@]1(C)CCCCC[C@@H](O)[C@@H]1N
InChIInChI=1S/C13H25NO/c1-4-10(2)13(3)9-7-5-6-8-11(15)12(13)14/h11-12,15H,2,4-9,14H2,1,3H3/t11-,12+,13-/m1/s1
InChIKeyAYCDILNLOBZNKL-FRRDWIJNSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol?
The IUPAC name of (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol (CID 155150925) is (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol?
The canonical SMILES for (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol is C=C(CC)[C@@]1(C)CCCCC[C@@H](O)[C@@H]1N.
What is the InChIKey of (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol?
The InChIKey is AYCDILNLOBZNKL-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-10(2)13(3)9-7-5-6-8-11(15)12(13)14/h11-12,15H,2,4-9,14H2,1,3H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol?
(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol is sourced from PubChem (CID 155150925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).