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

C15H27N3O — CID 80635329

IUPAC2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCCCNCc1cnc(N(C)CC(C)(C)O)c(C)c1
InChIInChI=1S/C15H27N3O/c1-6-7-16-9-13-8-12(2)14(17-10-13)18(5)11-15(3,4)19/h8,10,16,19H,6-7,9,11H2,1-5H3
InChIKeyJEOCLLGBQDZIML-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.10
Rot. Bonds7

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

2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 80635329) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID80635329
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCCCNCc1cnc(N(C)CC(C)(C)O)c(C)c1
InChIInChI=1S/C15H27N3O/c1-6-7-16-9-13-8-12(2)14(17-10-13)18(5)11-15(3,4)19/h8,10,16,19H,6-7,9,11H2,1-5H3
InChIKeyJEOCLLGBQDZIML-UHFFFAOYSA-N
XLogP2.10
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.10
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

N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
N-ethyl-2-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629706
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N,3-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80631876
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80630555
N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80635627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol (CID 80635329) is 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol is CCCNCc1cnc(N(C)CC(C)(C)O)c(C)c1.
What is the InChIKey of 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is JEOCLLGBQDZIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-7-16-9-13-8-12(2)14(17-10-13)18(5)11-15(3,4)19/h8,10,16,19H,6-7,9,11H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol?
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 80635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).