2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol

C17H35N3O — CID 64792489

IUPAC2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3O/c1-3-18-17(2,15-21)9-7-10-19-13-8-16(14-19)20-11-5-4-6-12-20/h16,18,21H,3-15H2,1-2H3
InChIKeyGPVCTOBVIHZYMR-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol

2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol (PubChem CID 64792489) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
PubChem CID64792489
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
SMILESCCNC(C)(CO)CCCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3O/c1-3-18-17(2,15-21)9-7-10-19-13-8-16(14-19)20-11-5-4-6-12-20/h16,18,21H,3-15H2,1-2H3
InChIKeyGPVCTOBVIHZYMR-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
CID 64791863
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 113336335
2-(ethylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentan-1-ol
CID 102968965
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64827442
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79945721

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol (CID 64792489) is 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol is CCNC(C)(CO)CCCN1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
The InChIKey is GPVCTOBVIHZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-18-17(2,15-21)9-7-10-19-13-8-16(14-19)20-11-5-4-6-12-20/h16,18,21H,3-15H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol?
2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 64792489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).