6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol

C16H27N3O — CID 106605471

IUPAC6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(CC(C)C)CC2CCCN2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)9-19(10-14-5-4-8-17-14)11-15-16(20)7-6-13(3)18-15/h6-7,12,14,17,20H,4-5,8-11H2,1-3H3
InChIKeyVQTWDWBEKAYKHO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds6

About 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol

6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol (PubChem CID 106605471) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
PubChem CID106605471
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(CC(C)C)CC2CCCN2)n1
InChIInChI=1S/C16H27N3O/c1-12(2)9-19(10-14-5-4-8-17-14)11-15-16(20)7-6-13(3)18-15/h6-7,12,14,17,20H,4-5,8-11H2,1-3H3
InChIKeyVQTWDWBEKAYKHO-UHFFFAOYSA-N
XLogP2.31
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605712
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605379
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605468
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605239
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
6-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106620667

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol (CID 106605471) is 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CN(CC(C)C)CC2CCCN2)n1.
What is the InChIKey of 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol?
The InChIKey is VQTWDWBEKAYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-19(10-14-5-4-8-17-14)11-15-16(20)7-6-13(3)18-15/h6-7,12,14,17,20H,4-5,8-11H2,1-3H3.
What are the key properties of 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol?
6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol has a molecular weight of 277.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 106605471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).