4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol

C17H30N2O — CID 107151568

IUPAC4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
SMILESCc1cc(C)c(C(C)NCC(O)CC(C)(C)C)c(C)n1
InChIInChI=1S/C17H30N2O/c1-11-8-12(2)19-14(4)16(11)13(3)18-10-15(20)9-17(5,6)7/h8,13,15,18,20H,9-10H2,1-7H3
InChIKeyMAUDJOHCYUEUNN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds5

About 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol

4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol (PubChem CID 107151568) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
PubChem CID107151568
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol
SMILESCc1cc(C)c(C(C)NCC(O)CC(C)(C)C)c(C)n1
InChIInChI=1S/C17H30N2O/c1-11-8-12(2)19-14(4)16(11)13(3)18-10-15(20)9-17(5,6)7/h8,13,15,18,20H,9-10H2,1-7H3
InChIKeyMAUDJOHCYUEUNN-UHFFFAOYSA-N
XLogP3.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol with MolForge

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Related Compounds

tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
(1R)-1-(2,4,6-trimethyl-3-pyridinyl)ethanol
CID 63365086
5,5,5-trifluoro-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115516808
4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
CID 103822917
3-cyclopropyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 113351582
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 63827120
3-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethylsulfanyl]propan-1-ol
CID 103917473
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 43767139
3-propoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 82940884

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol (CID 107151568) is 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol is Cc1cc(C)c(C(C)NCC(O)CC(C)(C)C)c(C)n1.
What is the InChIKey of 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol?
The InChIKey is MAUDJOHCYUEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-11-8-12(2)19-14(4)16(11)13(3)18-10-15(20)9-17(5,6)7/h8,13,15,18,20H,9-10H2,1-7H3.
What are the key properties of 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 107151568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).