1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol

C15H31NO2 — CID 103157602

IUPAC1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
SMILESCC(C)CCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)7-9-18-10-8-16-12-15(17)11-14-5-3-4-6-14/h13-17H,3-12H2,1-2H3
InChIKeyYVLUMWBAHOIQCN-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds10

About 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol

1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol (PubChem CID 103157602) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
PubChem CID103157602
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
SMILESCC(C)CCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C15H31NO2/c1-13(2)7-9-18-10-8-16-12-15(17)11-14-5-3-4-6-14/h13-17H,3-12H2,1-2H3
InChIKeyYVLUMWBAHOIQCN-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
2-(Morpholin-3-yl)cyclopentan-1-ol
CID 119031213
1-Cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-Cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 103157763
1-Cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 103157807
1-Cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
CID 103158170
1-Cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 103158173
1-Cyclopentyl-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 103158175
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1-difluoropropan-2-ol
CID 105645405
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
CID 106176435
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093395
1-Cyclopentyl-3-[2-(2,2-difluoroethoxy)ethylamino]propan-2-ol
CID 114127427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol (CID 103157602) is 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol is CC(C)CCOCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The InChIKey is YVLUMWBAHOIQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2)7-9-18-10-8-16-12-15(17)11-14-5-3-4-6-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 103157602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).