2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol

C13H23N3O — CID 83127397

IUPAC2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol
SMILESCNC(C)c1ccc(N(C)CC(C)(C)O)cn1
InChIInChI=1S/C13H23N3O/c1-10(14-4)12-7-6-11(8-15-12)16(5)9-13(2,3)17/h6-8,10,14,17H,9H2,1-5H3
InChIKeyRYRPTDJAMVCTNV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds5

About 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol

2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol (PubChem CID 83127397) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol
PubChem CID83127397
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol
SMILESCNC(C)c1ccc(N(C)CC(C)(C)O)cn1
InChIInChI=1S/C13H23N3O/c1-10(14-4)12-7-6-11(8-15-12)16(5)9-13(2,3)17/h6-8,10,14,17H,9H2,1-5H3
InChIKeyRYRPTDJAMVCTNV-UHFFFAOYSA-N
XLogP1.57
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol (CID 83127397) is 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol is CNC(C)c1ccc(N(C)CC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol?
The InChIKey is RYRPTDJAMVCTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(14-4)12-7-6-11(8-15-12)16(5)9-13(2,3)17/h6-8,10,14,17H,9H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol?
2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 83127397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).