2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

C17H37N3O — CID 106808849

IUPAC2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)CCN1CCCC1)NC(C)C
InChIInChI=1S/C17H37N3O/c1-5-17(15-21,18-16(2)3)9-8-10-19(4)13-14-20-11-6-7-12-20/h16,18,21H,5-15H2,1-4H3
InChIKeyGCVQJUHLQLIUNC-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds11

About 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol

2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106808849) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106808849
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)CCN1CCCC1)NC(C)C
InChIInChI=1S/C17H37N3O/c1-5-17(15-21,18-16(2)3)9-8-10-19(4)13-14-20-11-6-7-12-20/h16,18,21H,5-15H2,1-4H3
InChIKeyGCVQJUHLQLIUNC-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63211108
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol (CID 106808849) is 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN(C)CCN1CCCC1)NC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is GCVQJUHLQLIUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-17(15-21,18-16(2)3)9-8-10-19(4)13-14-20-11-6-7-12-20/h16,18,21H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol?
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106808849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).