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

C12H27N3O — CID 79317833

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
SMILESCCN1CCCC1CN(C)CC(CO)NC
InChIInChI=1S/C12H27N3O/c1-4-15-7-5-6-12(15)9-14(3)8-11(10-16)13-2/h11-13,16H,4-10H2,1-3H3
InChIKeyIVVLGDUFFSTPQD-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds7

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

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol (PubChem CID 79317833) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
PubChem CID79317833
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
SMILESCCN1CCCC1CN(C)CC(CO)NC
InChIInChI=1S/C12H27N3O/c1-4-15-7-5-6-12(15)9-14(3)8-11(10-16)13-2/h11-13,16H,4-10H2,1-3H3
InChIKeyIVVLGDUFFSTPQD-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propanenitrile
CID 79315355
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
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
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol (CID 79317833) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol is CCN1CCCC1CN(C)CC(CO)NC.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol?
The InChIKey is IVVLGDUFFSTPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-15-7-5-6-12(15)9-14(3)8-11(10-16)13-2/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 7 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-(methylamino)propan-1-ol is sourced from PubChem (CID 79317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).