1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol

C12H21NO — CID 130532293

IUPAC1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol
SMILESC#CC(NC1CCCC1(C)O)C(C)C
InChIInChI=1S/C12H21NO/c1-5-10(9(2)3)13-11-7-6-8-12(11,4)14/h1,9-11,13-14H,6-8H2,2-4H3
InChIKeyDPGRETYJWYMZJR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.54
Rot. Bonds3

About 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol

1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol (PubChem CID 130532293) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol
PubChem CID130532293
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol
SMILESC#CC(NC1CCCC1(C)O)C(C)C
InChIInChI=1S/C12H21NO/c1-5-10(9(2)3)13-11-7-6-8-12(11,4)14/h1,9-11,13-14H,6-8H2,2-4H3
InChIKeyDPGRETYJWYMZJR-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol?
The IUPAC name of 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol (CID 130532293) is 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol?
The canonical SMILES for 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol is C#CC(NC1CCCC1(C)O)C(C)C.
What is the InChIKey of 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol?
The InChIKey is DPGRETYJWYMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-10(9(2)3)13-11-7-6-8-12(11,4)14/h1,9-11,13-14H,6-8H2,2-4H3.
What are the key properties of 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol?
1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpent-1-yn-3-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 130532293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).