[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

C17H35NO3 — CID 106450765

IUPAC[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)COCCOCCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C17H35NO3/c1-14(2)12-21-11-10-20-9-7-16-6-5-8-17(16,13-19)18-15(3)4/h14-16,18-19H,5-13H2,1-4H3
InChIKeyNEFSLZRYHVZOEN-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.59
Rot. Bonds11

About [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 106450765) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID106450765
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)COCCOCCC1CCCC1(CO)NC(C)C
InChIInChI=1S/C17H35NO3/c1-14(2)12-21-11-10-20-9-7-16-6-5-8-17(16,13-19)18-15(3)4/h14-16,18-19H,5-13H2,1-4H3
InChIKeyNEFSLZRYHVZOEN-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol (CID 106450765) is [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)COCCOCCC1CCCC1(CO)NC(C)C.
What is the InChIKey of [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is NEFSLZRYHVZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-14(2)12-21-11-10-20-9-7-16-6-5-8-17(16,13-19)18-15(3)4/h14-16,18-19H,5-13H2,1-4H3.
What are the key properties of [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol?
[2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 301.47 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 106450765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).