5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol

C15H25NO — CID 5149803

IUPAC5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol
SMILESCN(CC#CC(C)(O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-15(17,13-9-10-13)11-6-12-16(2)14-7-4-3-5-8-14/h13-14,17H,3-5,7-10,12H2,1-2H3
InChIKeyVEMZWIVQFPJYBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.42
Rot. Bonds3

About 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol

5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol (PubChem CID 5149803) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol
PubChem CID5149803
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol
SMILESCN(CC#CC(C)(O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-15(17,13-9-10-13)11-6-12-16(2)14-7-4-3-5-8-14/h13-14,17H,3-5,7-10,12H2,1-2H3
InChIKeyVEMZWIVQFPJYBU-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol?
The IUPAC name of 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol (CID 5149803) is 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol.
What is the SMILES notation for 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol?
The canonical SMILES for 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol is CN(CC#CC(C)(O)C1CC1)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol?
The InChIKey is VEMZWIVQFPJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(17,13-9-10-13)11-6-12-16(2)14-7-4-3-5-8-14/h13-14,17H,3-5,7-10,12H2,1-2H3.
What are the key properties of 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol?
5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)amino]-2-cyclopropylpent-3-yn-2-ol is sourced from PubChem (CID 5149803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).