3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol

C14H31N3O — CID 79318223

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCN1CCCC1CN(C)CC(CO)NC(C)C
InChIInChI=1S/C14H31N3O/c1-5-17-8-6-7-14(17)10-16(4)9-13(11-18)15-12(2)3/h12-15,18H,5-11H2,1-4H3
InChIKeyFAIAJVQYSMRQJZ-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds8

About 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 79318223) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID79318223
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCN1CCCC1CN(C)CC(CO)NC(C)C
InChIInChI=1S/C14H31N3O/c1-5-17-8-6-7-14(17)10-16(4)9-13(11-18)15-12(2)3/h12-15,18H,5-11H2,1-4H3
InChIKeyFAIAJVQYSMRQJZ-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
CID 79315355
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369963
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992140

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol (CID 79318223) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol is CCN1CCCC1CN(C)CC(CO)NC(C)C.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is FAIAJVQYSMRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-17-8-6-7-14(17)10-16(4)9-13(11-18)15-12(2)3/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 79318223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).