[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol

C14H24N2O — CID 80628806

IUPAC[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)C(C)CC(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)6-12(4)16(5)14-11(3)7-13(9-17)8-15-14/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyDTVRHCGRRYXVHP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds5

About [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol

[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 80628806) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID80628806
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N(C)C(C)CC(C)C
InChIInChI=1S/C14H24N2O/c1-10(2)6-12(4)16(5)14-11(3)7-13(9-17)8-15-14/h7-8,10,12,17H,6,9H2,1-5H3
InChIKeyDTVRHCGRRYXVHP-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol (CID 80628806) is [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol is Cc1cc(CO)cnc1N(C)C(C)CC(C)C.
What is the InChIKey of [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is DTVRHCGRRYXVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)6-12(4)16(5)14-11(3)7-13(9-17)8-15-14/h7-8,10,12,17H,6,9H2,1-5H3.
What are the key properties of [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol?
[5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 236.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-[methyl(4-methylpentan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 80628806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).