3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol

C12H20N2O — CID 62059227

IUPAC3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-12(15,4-2)10-13-9-11-7-5-6-8-14-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyLYHWDVFTSFZVGQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds6

About 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol

3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol (PubChem CID 62059227) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
PubChem CID62059227
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-12(15,4-2)10-13-9-11-7-5-6-8-14-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyLYHWDVFTSFZVGQ-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
3-ethyl-N-(pyridin-2-ylmethyl)pentan-3-amine
CID 65039361
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
1-(ethylamino)-2-methyl-3-pyridin-2-ylpropan-2-ol
CID 66039373
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol (CID 62059227) is 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCc1ccccn1.
What is the InChIKey of 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol?
The InChIKey is LYHWDVFTSFZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(15,4-2)10-13-9-11-7-5-6-8-14-11/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol?
3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol has a molecular weight of 208.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-2-ylmethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 62059227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).