2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol

C14H27N3O — CID 64810087

IUPAC2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCn1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3O/c1-11-12(2)16-17(13(11)3)9-7-6-8-14(4,10-18)15-5/h15,18H,6-10H2,1-5H3
InChIKeyZCEOZRWDIVNDQP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol

2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol (PubChem CID 64810087) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
PubChem CID64810087
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCn1nc(C)c(C)c1C
InChIInChI=1S/C14H27N3O/c1-11-12(2)16-17(13(11)3)9-7-6-8-14(4,10-18)15-5/h15,18H,6-10H2,1-5H3
InChIKeyZCEOZRWDIVNDQP-UHFFFAOYSA-N
XLogP1.95
TPSA50.08 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 ≤ 51.95
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

5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64810713
N-methyl-5-(3,4,5-trimethylpyrazol-1-yl)pentan-1-amine
CID 62441748
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64810240
2,2-dimethyl-5-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
CID 65257695
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64811702
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-ol
CID 64809877
2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 116695367
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butan-1-amine
CID 62565900
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64806328
2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64811507
2-methyl-2-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66372029
3,3-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]butanamide
CID 110716795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol (CID 64810087) is 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol is CNC(C)(CO)CCCCn1nc(C)c(C)c1C.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The InChIKey is ZCEOZRWDIVNDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-12(2)16-17(13(11)3)9-7-6-8-14(4,10-18)15-5/h15,18H,6-10H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 64810087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).