3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol

C12H21N3O — CID 104535704

IUPAC3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(C)CCO)c1
InChIInChI=1S/C12H21N3O/c1-3-5-14-11-7-12(9-13-8-11)15-10(2)4-6-16/h7-10,14-16H,3-6H2,1-2H3
InChIKeyWANCGWBBILJAJZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds7

About 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol

3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol (PubChem CID 104535704) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
PubChem CID104535704
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(C)CCO)c1
InChIInChI=1S/C12H21N3O/c1-3-5-14-11-7-12(9-13-8-11)15-10(2)4-6-16/h7-10,14-16H,3-6H2,1-2H3
InChIKeyWANCGWBBILJAJZ-UHFFFAOYSA-N
XLogP2.09
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
3-N-propyl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-diamine
CID 104533484
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
CID 113423873
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The IUPAC name of 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol (CID 104535704) is 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol is CCCNc1cncc(NC(C)CCO)c1.
What is the InChIKey of 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The InChIKey is WANCGWBBILJAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-14-11-7-12(9-13-8-11)15-10(2)4-6-16/h7-10,14-16H,3-6H2,1-2H3.
What are the key properties of 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 104535704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).