4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol

C14H25N3O — CID 106358070

IUPAC4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
SMILESCCCNc1cccc(NC(CCO)C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-9-15-13-6-5-7-14(17-13)16-12(8-10-18)11(2)3/h5-7,11-12,18H,4,8-10H2,1-3H3,(H2,15,16,17)
InChIKeyZSUSOBZVWDEYRR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.72
Rot. Bonds8

About 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol

4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 106358070) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
PubChem CID106358070
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
SMILESCCCNc1cccc(NC(CCO)C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-9-15-13-6-5-7-14(17-13)16-12(8-10-18)11(2)3/h5-7,11-12,18H,4,8-10H2,1-3H3,(H2,15,16,17)
InChIKeyZSUSOBZVWDEYRR-UHFFFAOYSA-N
XLogP2.72
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol (CID 106358070) is 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol is CCCNc1cccc(NC(CCO)C(C)C)n1.
What is the InChIKey of 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is ZSUSOBZVWDEYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-15-13-6-5-7-14(17-13)16-12(8-10-18)11(2)3/h5-7,11-12,18H,4,8-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol?
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 106358070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).