2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol

C15H31N3O — CID 64791863

IUPAC2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-16-15(2,13-19)7-11-17-10-6-14(12-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3
InChIKeyISBQQYXQDUKBNK-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol

2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol (PubChem CID 64791863) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
PubChem CID64791863
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-16-15(2,13-19)7-11-17-10-6-14(12-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3
InChIKeyISBQQYXQDUKBNK-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792489
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
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
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 63151089
4-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 103540799
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanenitrile
CID 79943625
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol (CID 64791863) is 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol is CCNC(C)(CO)CCN1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol?
The InChIKey is ISBQQYXQDUKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-16-15(2,13-19)7-11-17-10-6-14(12-17)18-8-4-5-9-18/h14,16,19H,3-13H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol?
2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol is sourced from PubChem (CID 64791863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).