4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol

C11H18N2O — CID 114955437

IUPAC4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCc1ccncc1CNCCCCO
InChIInChI=1S/C11H18N2O/c1-10-4-6-13-9-11(10)8-12-5-2-3-7-14/h4,6,9,12,14H,2-3,5,7-8H2,1H3
InChIKeyJNJAVPRWPOKJQF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds6

About 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol

4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol (PubChem CID 114955437) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
PubChem CID114955437
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
SMILESCc1ccncc1CNCCCCO
InChIInChI=1S/C11H18N2O/c1-10-4-6-13-9-11(10)8-12-5-2-3-7-14/h4,6,9,12,14H,2-3,5,7-8H2,1H3
InChIKeyJNJAVPRWPOKJQF-UHFFFAOYSA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
CID 106234501
N'-hydroxy-2,2-dimethyl-5-[(4-methyl-3-pyridinyl)methylamino]pentanimidamide
CID 114956355
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
CID 103460819
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol (CID 114955437) is 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol is Cc1ccncc1CNCCCCO.
What is the InChIKey of 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol?
The InChIKey is JNJAVPRWPOKJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-4-6-13-9-11(10)8-12-5-2-3-7-14/h4,6,9,12,14H,2-3,5,7-8H2,1H3.
What are the key properties of 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol?
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 114955437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).