1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol

C11H25N3O — CID 62641762

IUPAC1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCN1CCCC1
InChIInChI=1S/C11H25N3O/c1-13(2)10-11(15)9-12-5-8-14-6-3-4-7-14/h11-12,15H,3-10H2,1-2H3
InChIKeyUXHNJPIDNONMTH-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds7

About 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol

1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol (PubChem CID 62641762) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
PubChem CID62641762
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
SMILESCN(C)CC(O)CNCCN1CCCC1
InChIInChI=1S/C11H25N3O/c1-13(2)10-11(15)9-12-5-8-14-6-3-4-7-14/h11-12,15H,3-10H2,1-2H3
InChIKeyUXHNJPIDNONMTH-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62991874
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
1-cyclopentyl-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 103157548
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol
CID 107911987
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
CID 62991883
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol (CID 62641762) is 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol is CN(C)CC(O)CNCCN1CCCC1.
What is the InChIKey of 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol?
The InChIKey is UXHNJPIDNONMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13(2)10-11(15)9-12-5-8-14-6-3-4-7-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol?
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of -0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 62641762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).