4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol

C13H29N3O — CID 64791699

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
SMILESCCN(CC)C1CCN(CCC(CO)NC)C1
InChIInChI=1S/C13H29N3O/c1-4-16(5-2)13-7-9-15(10-13)8-6-12(11-17)14-3/h12-14,17H,4-11H2,1-3H3
InChIKeyAUGPPJPJUMTTHA-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds8

About 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol

4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol (PubChem CID 64791699) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
PubChem CID64791699
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
SMILESCCN(CC)C1CCN(CCC(CO)NC)C1
InChIInChI=1S/C13H29N3O/c1-4-16(5-2)13-7-9-15(10-13)8-6-12(11-17)14-3/h12-14,17H,4-11H2,1-3H3
InChIKeyAUGPPJPJUMTTHA-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
CID 106799808
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
CID 63165674
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol (CID 64791699) is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol is CCN(CC)C1CCN(CCC(CO)NC)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol?
The InChIKey is AUGPPJPJUMTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-16(5-2)13-7-9-15(10-13)8-6-12(11-17)14-3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol?
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64791699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).