1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol

C12H25NO — CID 131187535

IUPAC1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
SMILESCC(C)C(C)NC1(C)CCCC1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-11(4)7-6-8-12(11,5)14/h9-10,13-14H,6-8H2,1-5H3
InChIKeyZPEMJGQKDIPNSX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds3

About 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol

1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol (PubChem CID 131187535) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
PubChem CID131187535
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
SMILESCC(C)C(C)NC1(C)CCCC1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-11(4)7-6-8-12(11,5)14/h9-10,13-14H,6-8H2,1-5H3
InChIKeyZPEMJGQKDIPNSX-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol (CID 131187535) is 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol is CC(C)C(C)NC1(C)CCCC1(C)O.
What is the InChIKey of 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol?
The InChIKey is ZPEMJGQKDIPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)13-11(4)7-6-8-12(11,5)14/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol?
1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 131187535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).