1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol

C14H31N3O — CID 64820510

IUPAC1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
SMILESCCN(CC)C1CCN(CCCC(C)(O)CN)C1
InChIInChI=1S/C14H31N3O/c1-4-17(5-2)13-7-10-16(11-13)9-6-8-14(3,18)12-15/h13,18H,4-12,15H2,1-3H3
InChIKeyPOLATTBWGVZWBY-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.89
Rot. Bonds8

About 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol

1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol (PubChem CID 64820510) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
PubChem CID64820510
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
SMILESCCN(CC)C1CCN(CCCC(C)(O)CN)C1
InChIInChI=1S/C14H31N3O/c1-4-17(5-2)13-7-10-16(11-13)9-6-8-14(3,18)12-15/h13,18H,4-12,15H2,1-3H3
InChIKeyPOLATTBWGVZWBY-UHFFFAOYSA-N
XLogP0.89
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
1-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64820276
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol (CID 64820510) is 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol is CCN(CC)C1CCN(CCCC(C)(O)CN)C1.
What is the InChIKey of 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol?
The InChIKey is POLATTBWGVZWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-17(5-2)13-7-10-16(11-13)9-6-8-14(3,18)12-15/h13,18H,4-12,15H2,1-3H3.
What are the key properties of 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol?
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 64820510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).