[2-[methyl(pentyl)amino]-3-pyridinyl]methanol

C12H20N2O — CID 61256458

IUPAC[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
SMILESCCCCCN(C)c1ncccc1CO
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-14(2)12-11(10-15)7-6-8-13-12/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyLLDJOKNYIBZUCA-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.20
Rot. Bonds6

About [2-[methyl(pentyl)amino]-3-pyridinyl]methanol

[2-[methyl(pentyl)amino]-3-pyridinyl]methanol (PubChem CID 61256458) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [2-[methyl(pentyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
PubChem CID61256458
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
SMILESCCCCCN(C)c1ncccc1CO
InChIInChI=1S/C12H20N2O/c1-3-4-5-9-14(2)12-11(10-15)7-6-8-13-12/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyLLDJOKNYIBZUCA-UHFFFAOYSA-N
XLogP2.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
[2-[methyl(2-phenylethyl)amino]-3-pyridinyl]methanol
CID 65488591
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
CID 107203500
[2-[(2-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417296
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
(3-pentyl-2-pyridinyl)methanol
CID 166644621
3-[methyl(pentyl)amino]pyrazine-2-carbothioamide
CID 62683933

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pentyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [2-[methyl(pentyl)amino]-3-pyridinyl]methanol (CID 61256458) is [2-[methyl(pentyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[methyl(pentyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [2-[methyl(pentyl)amino]-3-pyridinyl]methanol is CCCCCN(C)c1ncccc1CO.
What is the InChIKey of [2-[methyl(pentyl)amino]-3-pyridinyl]methanol?
The InChIKey is LLDJOKNYIBZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-9-14(2)12-11(10-15)7-6-8-13-12/h6-8,15H,3-5,9-10H2,1-2H3.
What are the key properties of [2-[methyl(pentyl)amino]-3-pyridinyl]methanol?
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol has a molecular weight of 208.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pentyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 61256458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).