2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol

C15H33N3O — CID 106808752

IUPAC2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN(C)C(C)(C)C1)NC
InChIInChI=1S/C15H33N3O/c1-6-15(13-19,16-4)8-7-9-18-11-10-17(5)14(2,3)12-18/h16,19H,6-13H2,1-5H3
InChIKeyOCYFLYZORNTCKK-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol

2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol (PubChem CID 106808752) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
PubChem CID106808752
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
SMILESCCC(CO)(CCCN1CCN(C)C(C)(C)C1)NC
InChIInChI=1S/C15H33N3O/c1-6-15(13-19,16-4)8-7-9-18-11-10-17(5)14(2,3)12-18/h16,19H,6-13H2,1-5H3
InChIKeyOCYFLYZORNTCKK-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
CID 106808728
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760
2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
CID 106809681
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648
2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809757
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
2-amino-2-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanenitrile
CID 106803653
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol (CID 106808752) is 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol is CCC(CO)(CCCN1CCN(C)C(C)(C)C1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol?
The InChIKey is OCYFLYZORNTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-15(13-19,16-4)8-7-9-18-11-10-17(5)14(2,3)12-18/h16,19H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 106808752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).