1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol

C14H27N3O — CID 64821440

IUPAC1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
SMILESCCc1c(C)nn(CCCCC(C)(O)CN)c1C
InChIInChI=1S/C14H27N3O/c1-5-13-11(2)16-17(12(13)3)9-7-6-8-14(4,18)10-15/h18H,5-10,15H2,1-4H3
InChIKeyHGAVDKZVYWNBGJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.94
Rot. Bonds7

About 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol

1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol (PubChem CID 64821440) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
PubChem CID64821440
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol
SMILESCCc1c(C)nn(CCCCC(C)(O)CN)c1C
InChIInChI=1S/C14H27N3O/c1-5-13-11(2)16-17(12(13)3)9-7-6-8-14(4,18)10-15/h18H,5-10,15H2,1-4H3
InChIKeyHGAVDKZVYWNBGJ-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.94
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

1-amino-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 64821238
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711709
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64810713
2-amino-2-ethyl-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 106810069
1-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol
CID 114495869
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
N-[[1-(3-fluoropropyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 81113432
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
CID 63071239
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol (CID 64821440) is 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol is CCc1c(C)nn(CCCCC(C)(O)CN)c1C.
What is the InChIKey of 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol?
The InChIKey is HGAVDKZVYWNBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-13-11(2)16-17(12(13)3)9-7-6-8-14(4,18)10-15/h18H,5-10,15H2,1-4H3.
What are the key properties of 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol?
1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylhexan-2-ol is sourced from PubChem (CID 64821440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).