1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol

C15H27N3O — CID 176962785

IUPAC1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol
SMILESCCc1ccc(CCCCNCC(C)O)nc1NC
InChIInChI=1S/C15H27N3O/c1-4-13-8-9-14(18-15(13)16-3)7-5-6-10-17-11-12(2)19/h8-9,12,17,19H,4-7,10-11H2,1-3H3,(H,16,18)
InChIKeyBHPHYOMWHOEYHD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.98
Rot. Bonds9

About 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol

1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol (PubChem CID 176962785) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol.

Molecular Properties

Compound Name1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol
PubChem CID176962785
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol
SMILESCCc1ccc(CCCCNCC(C)O)nc1NC
InChIInChI=1S/C15H27N3O/c1-4-13-8-9-14(18-15(13)16-3)7-5-6-10-17-11-12(2)19/h8-9,12,17,19H,4-7,10-11H2,1-3H3,(H,16,18)
InChIKeyBHPHYOMWHOEYHD-UHFFFAOYSA-N
XLogP1.98
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol?
The IUPAC name of 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol (CID 176962785) is 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol.
What is the SMILES notation for 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol?
The canonical SMILES for 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol is CCc1ccc(CCCCNCC(C)O)nc1NC.
What is the InChIKey of 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol?
The InChIKey is BHPHYOMWHOEYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-13-8-9-14(18-15(13)16-3)7-5-6-10-17-11-12(2)19/h8-9,12,17,19H,4-7,10-11H2,1-3H3,(H,16,18).
What are the key properties of 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol?
1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]propan-2-ol is sourced from PubChem (CID 176962785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).