1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

C15H26N2O2 — CID 60633849

IUPAC1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCc1ccccn1
InChIInChI=1S/C15H26N2O2/c1-13(2)6-5-9-19-12-15(18)11-16-10-14-7-3-4-8-17-14/h3-4,7-8,13,15-16,18H,5-6,9-12H2,1-2H3
InChIKeyVFYOKCMJFLBPAY-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.98
Rot. Bonds10

About 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol

1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (PubChem CID 60633849) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
PubChem CID60633849
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCc1ccccn1
InChIInChI=1S/C15H26N2O2/c1-13(2)6-5-9-19-12-15(18)11-16-10-14-7-3-4-8-17-14/h3-4,7-8,13,15-16,18H,5-6,9-12H2,1-2H3
InChIKeyVFYOKCMJFLBPAY-UHFFFAOYSA-N
XLogP1.98
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-(4-methylpentoxy)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
CID 63306347
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-(4-methylpentoxy)-3-[(3-methyl-4-pyridinyl)methylamino]propan-2-ol
CID 114699671
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895709
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol (CID 60633849) is 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is CC(C)CCCOCC(O)CNCc1ccccn1.
What is the InChIKey of 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
The InChIKey is VFYOKCMJFLBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13(2)6-5-9-19-12-15(18)11-16-10-14-7-3-4-8-17-14/h3-4,7-8,13,15-16,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol?
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 60633849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).