1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol

C15H27N3O — CID 80635864

IUPAC1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CC(C)O
InChIInChI=1S/C15H27N3O/c1-11-7-13(9-17-15(3,4)5)8-16-14(11)18(6)10-12(2)19/h7-8,12,17,19H,9-10H2,1-6H3
InChIKeyHNXQQCYZQBHBOK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.10
Rot. Bonds5

About 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol

1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol (PubChem CID 80635864) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
PubChem CID80635864
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
SMILESCc1cc(CNC(C)(C)C)cnc1N(C)CC(C)O
InChIInChI=1S/C15H27N3O/c1-11-7-13(9-17-15(3,4)5)8-16-14(11)18(6)10-12(2)19/h7-8,12,17,19H,9-10H2,1-6H3
InChIKeyHNXQQCYZQBHBOK-UHFFFAOYSA-N
XLogP2.10
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80629194
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80630555
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80632065
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
1-methoxy-3-[methyl-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 80632443
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
1-[[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 80630791
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol (CID 80635864) is 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol is Cc1cc(CNC(C)(C)C)cnc1N(C)CC(C)O.
What is the InChIKey of 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
The InChIKey is HNXQQCYZQBHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-7-13(9-17-15(3,4)5)8-16-14(11)18(6)10-12(2)19/h7-8,12,17,19H,9-10H2,1-6H3.
What are the key properties of 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol?
1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol is sourced from PubChem (CID 80635864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).