4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol

C16H27N3O2 — CID 114950653

IUPAC4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
SMILESCCCNCc1ccc(N(C)CC2(O)CCOCC2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-8-17-11-14-4-5-15(18-12-14)19(2)13-16(20)6-9-21-10-7-16/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyXAXAODXIKVBDBM-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.56
Rot. Bonds7

About 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol

4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol (PubChem CID 114950653) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
PubChem CID114950653
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
SMILESCCCNCc1ccc(N(C)CC2(O)CCOCC2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-8-17-11-14-4-5-15(18-12-14)19(2)13-16(20)6-9-21-10-7-16/h4-5,12,17,20H,3,6-11,13H2,1-2H3
InChIKeyXAXAODXIKVBDBM-UHFFFAOYSA-N
XLogP1.56
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 63864727
1-[[methyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 114950640
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol (CID 114950653) is 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol is CCCNCc1ccc(N(C)CC2(O)CCOCC2)nc1.
What is the InChIKey of 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
The InChIKey is XAXAODXIKVBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-8-17-11-14-4-5-15(18-12-14)19(2)13-16(20)6-9-21-10-7-16/h4-5,12,17,20H,3,6-11,13H2,1-2H3.
What are the key properties of 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol?
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol has a molecular weight of 293.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).