3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol

C14H25N3O — CID 113468825

IUPAC3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
SMILESCCN(CCCO)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17(8-5-9-18)14-7-6-13(11-16-14)10-15-12(2)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyYQMMPDJWIJFFBO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.79
Rot. Bonds8

About 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol

3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 113468825) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
PubChem CID113468825
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
SMILESCCN(CCCO)c1ccc(CNC(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-4-17(8-5-9-18)14-7-6-13(11-16-14)10-15-12(2)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3
InChIKeyYQMMPDJWIJFFBO-UHFFFAOYSA-N
XLogP1.79
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80630615
N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
CID 102995293
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069
N'-ethyl-N'-(5-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 62587829
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
CID 61256376
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284058
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700
5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111692427

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol (CID 113468825) is 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol is CCN(CCCO)c1ccc(CNC(C)C)cn1.
What is the InChIKey of 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is YQMMPDJWIJFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(8-5-9-18)14-7-6-13(11-16-14)10-15-12(2)3/h6-7,11-12,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol?
3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 113468825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).