5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol

C14H24N2O2 — CID 107203500

IUPAC5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
SMILESCCCOc1cccnc1N(C)CCCCCO
InChIInChI=1S/C14H24N2O2/c1-3-12-18-13-8-7-9-15-14(13)16(2)10-5-4-6-11-17/h7-9,17H,3-6,10-12H2,1-2H3
InChIKeyRDUCATADYYHHCF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.47
Rot. Bonds9

About 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol

5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol (PubChem CID 107203500) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
PubChem CID107203500
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol
SMILESCCCOc1cccnc1N(C)CCCCCO
InChIInChI=1S/C14H24N2O2/c1-3-12-18-13-8-7-9-15-14(13)16(2)10-5-4-6-11-17/h7-9,17H,3-6,10-12H2,1-2H3
InChIKeyRDUCATADYYHHCF-UHFFFAOYSA-N
XLogP2.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-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

5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
2-[butyl-(3-propoxy-2-pyridinyl)amino]ethanol
CID 113371170
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
3-[5-hydroxypentyl(methyl)amino]pyrazine-2-carbonitrile
CID 107199606
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol (CID 107203500) is 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol is CCCOc1cccnc1N(C)CCCCCO.
What is the InChIKey of 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is RDUCATADYYHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-12-18-13-8-7-9-15-14(13)16(2)10-5-4-6-11-17/h7-9,17H,3-6,10-12H2,1-2H3.
What are the key properties of 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol?
5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(3-propoxy-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 107203500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).