4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol

C12H23NO — CID 90075981

IUPAC4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol
SMILESCNC1CC(O)C(C(C)C)=C1C(C)C
InChIInChI=1S/C12H23NO/c1-7(2)11-9(13-5)6-10(14)12(11)8(3)4/h7-10,13-14H,6H2,1-5H3
InChIKeyYNCKJFZPZXGXHS-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.95
Rot. Bonds3

About 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol

4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol (PubChem CID 90075981) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol
PubChem CID90075981
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol
SMILESCNC1CC(O)C(C(C)C)=C1C(C)C
InChIInChI=1S/C12H23NO/c1-7(2)11-9(13-5)6-10(14)12(11)8(3)4/h7-10,13-14H,6H2,1-5H3
InChIKeyYNCKJFZPZXGXHS-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.95
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 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol?
The IUPAC name of 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol (CID 90075981) is 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol is CNC1CC(O)C(C(C)C)=C1C(C)C.
What is the InChIKey of 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol?
The InChIKey is YNCKJFZPZXGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7(2)11-9(13-5)6-10(14)12(11)8(3)4/h7-10,13-14H,6H2,1-5H3.
What are the key properties of 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol?
4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2,3-di(propan-2-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 90075981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).