4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol

C13H29N3O — CID 81469479

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-14-12(10-17)6-7-16-8-11(2)13(9-16)15(3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyFANXUSJYFLVXJH-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.23
Rot. Bonds7

About 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol

4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol (PubChem CID 81469479) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol
PubChem CID81469479
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-14-12(10-17)6-7-16-8-11(2)13(9-16)15(3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyFANXUSJYFLVXJH-UHFFFAOYSA-N
XLogP0.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol
CID 81469027
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465190
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849
N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 81463851
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
CID 81475532
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
1-(2-chloroethyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81475056
N,N,4-trimethyl-1-[5-(propylamino)hexyl]pyrrolidin-3-amine
CID 81465461
N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
CID 81465085

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol (CID 81469479) is 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol is CCNC(CO)CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol?
The InChIKey is FANXUSJYFLVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-14-12(10-17)6-7-16-8-11(2)13(9-16)15(3)4/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol?
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 81469479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).