3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol

C12H25NO — CID 65337535

IUPAC3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol
SMILESCC1CCC(NC(C)C(C)(C)O)C1C
InChIInChI=1S/C12H25NO/c1-8-6-7-11(9(8)2)13-10(3)12(4,5)14/h8-11,13-14H,6-7H2,1-5H3
InChIKeyKYEFQGRDQYUDTJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol

3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol (PubChem CID 65337535) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol
PubChem CID65337535
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol
SMILESCC1CCC(NC(C)C(C)(C)O)C1C
InChIInChI=1S/C12H25NO/c1-8-6-7-11(9(8)2)13-10(3)12(4,5)14/h8-11,13-14H,6-7H2,1-5H3
InChIKeyKYEFQGRDQYUDTJ-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol (CID 65337535) is 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol is CC1CCC(NC(C)C(C)(C)O)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol?
The InChIKey is KYEFQGRDQYUDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-8-6-7-11(9(8)2)13-10(3)12(4,5)14/h8-11,13-14H,6-7H2,1-5H3.
What are the key properties of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol?
3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).