4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol

C14H24N2O — CID 114176802

IUPAC4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
SMILESCc1ccc(CNC(CCO)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-11-5-6-12(9-15-11)10-16-13(7-8-17)14(2,3)4/h5-6,9,13,16-17H,7-8,10H2,1-4H3
InChIKeyROBXACLUWKXNIE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds5

About 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol

4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol (PubChem CID 114176802) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
PubChem CID114176802
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
SMILESCc1ccc(CNC(CCO)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-11-5-6-12(9-15-11)10-16-13(7-8-17)14(2,3)4/h5-6,9,13,16-17H,7-8,10H2,1-4H3
InChIKeyROBXACLUWKXNIE-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-pyridineethanol
CID 78894
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Methyl[1-(pyridin-3-yl)ethyl]amine
CID 16778481
Nsc65650
CID 248485
3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
CID 248486
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
4-Penten-2-amine, N-methyl-5-(3-pyridinyl)-, (2S,4E)-
CID 9834107
3-((3-Pyridylmethyl)amino)propanol
CID 81390
2-[(Pyridin-3-ylmethyl)-amino]-ethanol
CID 3127274
2-[1-(2,2-Dimethylpropyl)-4-(3-pyridinylmethyl)-2-piperazinyl]ethanol
CID 23723941
3-(3-Methylpyridin-2-yl)propan-1-ol
CID 17844561

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol (CID 114176802) is 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol is Cc1ccc(CNC(CCO)C(C)(C)C)cn1.
What is the InChIKey of 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The InChIKey is ROBXACLUWKXNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-5-6-12(9-15-11)10-16-13(7-8-17)14(2,3)4/h5-6,9,13,16-17H,7-8,10H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol?
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol is sourced from PubChem (CID 114176802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).