5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol

C20H29NO3 — CID 3724164

IUPAC5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol
SMILESOCCN(CC#CCC(O)(c1ccccc1)C1CCCC1)CCO
InChIInChI=1S/C20H29NO3/c22-16-14-21(15-17-23)13-7-6-12-20(24,19-10-4-5-11-19)18-8-2-1-3-9-18/h1-3,8-9,19,22-24H,4-5,10-17H2
InChIKeyYUWZIFHFZSPRPN-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.74
Rot. Bonds8

About 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol

5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol (PubChem CID 3724164) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol.

Molecular Properties

Compound Name5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol
PubChem CID3724164
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol
SMILESOCCN(CC#CCC(O)(c1ccccc1)C1CCCC1)CCO
InChIInChI=1S/C20H29NO3/c22-16-14-21(15-17-23)13-7-6-12-20(24,19-10-4-5-11-19)18-8-2-1-3-9-18/h1-3,8-9,19,22-24H,4-5,10-17H2
InChIKeyYUWZIFHFZSPRPN-UHFFFAOYSA-N
XLogP1.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol?
The IUPAC name of 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol (CID 3724164) is 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol.
What is the SMILES notation for 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol?
The canonical SMILES for 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol is OCCN(CC#CCC(O)(c1ccccc1)C1CCCC1)CCO.
What is the InChIKey of 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol?
The InChIKey is YUWZIFHFZSPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-16-14-21(15-17-23)13-7-6-12-20(24,19-10-4-5-11-19)18-8-2-1-3-9-18/h1-3,8-9,19,22-24H,4-5,10-17H2.
What are the key properties of 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol?
5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol has a molecular weight of 331.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol is sourced from PubChem (CID 3724164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).