(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol

C13H25NO — CID 163243127

IUPAC(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)NC1CC2(CC2)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGUHGHSRJVJETAT-LLVKDONJSA-N
MW211.35 g/mol
LogP2.32
Rot. Bonds4

About (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol

(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol (PubChem CID 163243127) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
PubChem CID163243127
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol
SMILESCC(C)(C)C[C@H](CO)NC1CC2(CC2)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyGUHGHSRJVJETAT-LLVKDONJSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The IUPAC name of (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol (CID 163243127) is (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The canonical SMILES for (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol is CC(C)(C)C[C@H](CO)NC1CC2(CC2)C1.
What is the InChIKey of (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
The InChIKey is GUHGHSRJVJETAT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)6-11(9-15)14-10-7-13(8-10)4-5-13/h10-11,14-15H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol?
(2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-(spiro[2.3]hexan-5-ylamino)pentan-1-ol is sourced from PubChem (CID 163243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).