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

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Related Compounds

5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712168
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110

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).