2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol

C15H29N3O — CID 111449402

IUPAC2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(C)(O)CCC(C)C
InChIInChI=1S/C15H29N3O/c1-11(2)7-8-15(5,19)10-16-9-14-12(3)17-18(6)13(14)4/h11,16,19H,7-10H2,1-6H3
InChIKeyNBTQGFMWGRUSCE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.31
Rot. Bonds7

About 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol

2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol (PubChem CID 111449402) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
PubChem CID111449402
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
SMILESCc1nn(C)c(C)c1CNCC(C)(O)CCC(C)C
InChIInChI=1S/C15H29N3O/c1-11(2)7-8-15(5,19)10-16-9-14-12(3)17-18(6)13(14)4/h11,16,19H,7-10H2,1-6H3
InChIKeyNBTQGFMWGRUSCE-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 111508899
2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol
CID 111449398
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol (CID 111449402) is 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol is Cc1nn(C)c(C)c1CNCC(C)(O)CCC(C)C.
What is the InChIKey of 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol?
The InChIKey is NBTQGFMWGRUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)7-8-15(5,19)10-16-9-14-12(3)17-18(6)13(14)4/h11,16,19H,7-10H2,1-6H3.
What are the key properties of 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol?
2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol has a molecular weight of 267.42 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol is sourced from PubChem (CID 111449402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).