(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol

C24H38N4O2 — CID 155523419

IUPAC(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O
InChIInChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-18-30-4)19-20(3)29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1
InChIKeyIWGLAHBDYGRWRK-TUACAJSNSA-N
MW414.59 g/mol
LogP3.71
Rot. Bonds14

About (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol

(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol (PubChem CID 155523419) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
PubChem CID155523419
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol
SMILESCCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O
InChIInChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-18-30-4)19-20(3)29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1
InChIKeyIWGLAHBDYGRWRK-TUACAJSNSA-N
XLogP3.71
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
CID 63284752
2-(2-methoxy-1-methylsulfanylethyl)pyridine
CID 146229579
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-propylpropan-1-amine
CID 142144018
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol (CID 155523419) is (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol is CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)O.
What is the InChIKey of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?
The InChIKey is IWGLAHBDYGRWRK-TUACAJSNSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-5-15-27(16-6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-18-30-4)19-20(3)29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1.
What are the key properties of (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol?
(2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 414.59 g/mol, XLogP of 3.71, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S,2S)-2-(dipropylamino)-1,2-dipyridin-2-ylethyl]-(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 155523419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).