2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol

C14H31N3O — CID 79317992

IUPAC2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
SMILESCCN1CCCC1CN(C)CCCC(C)(N)CO
InChIInChI=1S/C14H31N3O/c1-4-17-10-5-7-13(17)11-16(3)9-6-8-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3
InChIKeyYZTUQADSUMIOMG-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.89
Rot. Bonds8

About 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol

2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol (PubChem CID 79317992) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
PubChem CID79317992
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
SMILESCCN1CCCC1CN(C)CCCC(C)(N)CO
InChIInChI=1S/C14H31N3O/c1-4-17-10-5-7-13(17)11-16(3)9-6-8-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3
InChIKeyYZTUQADSUMIOMG-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 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol (CID 79317992) is 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol is CCN1CCCC1CN(C)CCCC(C)(N)CO.
What is the InChIKey of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol?
The InChIKey is YZTUQADSUMIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-17-10-5-7-13(17)11-16(3)9-6-8-14(2,15)12-18/h13,18H,4-12,15H2,1-3H3.
What are the key properties of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol?
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-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 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 79317992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).