3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol

C14H25N3O — CID 113423873

IUPAC3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
SMILESCCCNc1cncc(N(CCCO)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-4-6-16-13-9-14(11-15-10-13)17(12(2)3)7-5-8-18/h9-12,16,18H,4-8H2,1-3H3
InChIKeyMICAAFOTUGMCGF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds8

About 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol

3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol (PubChem CID 113423873) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
PubChem CID113423873
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
SMILESCCCNc1cncc(N(CCCO)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-4-6-16-13-9-14(11-15-10-13)17(12(2)3)7-5-8-18/h9-12,16,18H,4-8H2,1-3H3
InChIKeyMICAAFOTUGMCGF-UHFFFAOYSA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
3-N-methyl-5-N-propan-2-yl-5-N-propylpyridine-3,5-diamine
CID 104532814
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
5-N-butan-2-yl-5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 113423883
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol (CID 113423873) is 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol is CCCNc1cncc(N(CCCO)C(C)C)c1.
What is the InChIKey of 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol?
The InChIKey is MICAAFOTUGMCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-16-13-9-14(11-15-10-13)17(12(2)3)7-5-8-18/h9-12,16,18H,4-8H2,1-3H3.
What are the key properties of 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol?
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 113423873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).