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

C16H29N3O2 — CID 80632443

IUPAC1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C16H29N3O2/c1-12(2)7-17-8-14-6-13(3)16(18-9-14)19(4)10-15(20)11-21-5/h6,9,12,15,17,20H,7-8,10-11H2,1-5H3
InChIKeyNQAYGZCMUWAYIL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.58
Rot. Bonds9

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

1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 80632443) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
PubChem CID80632443
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C16H29N3O2/c1-12(2)7-17-8-14-6-13(3)16(18-9-14)19(4)10-15(20)11-21-5/h6,9,12,15,17,20H,7-8,10-11H2,1-5H3
InChIKeyNQAYGZCMUWAYIL-UHFFFAOYSA-N
XLogP1.58
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917
1-[2-chloro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 81143872
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80629194
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283539
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830
N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631433
N-butan-2-yl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-3-methylpyridin-2-amine
CID 80630535
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol (CID 80632443) is 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol is COCC(O)CN(C)c1ncc(CNCC(C)C)cc1C.
What is the InChIKey of 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is NQAYGZCMUWAYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)7-17-8-14-6-13(3)16(18-9-14)19(4)10-15(20)11-21-5/h6,9,12,15,17,20H,7-8,10-11H2,1-5H3.
What are the key properties of 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 80632443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).