1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol

C10H16N2O — CID 170403575

IUPAC1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol
SMILESCCC(O)Nc1c(C)ccnc1C
InChIInChI=1S/C10H16N2O/c1-4-9(13)12-10-7(2)5-6-11-8(10)3/h5-6,9,12-13H,4H2,1-3H3
InChIKeyDCFQOZJZCZMKNU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.84
Rot. Bonds3

About 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol

1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol (PubChem CID 170403575) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol
PubChem CID170403575
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol
SMILESCCC(O)Nc1c(C)ccnc1C
InChIInChI=1S/C10H16N2O/c1-4-9(13)12-10-7(2)5-6-11-8(10)3/h5-6,9,12-13H,4H2,1-3H3
InChIKeyDCFQOZJZCZMKNU-UHFFFAOYSA-N
XLogP1.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
4,6-Dimethylpyridin-3-amine
CID 7060669
N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 292900
Nsc65650
CID 248485
3-(((Pyridin-4-yl)methyl)amino)propan-1-ol
CID 248486
N-benzylpyridin-3-amine
CID 279908
N-(4-methylpyridin-3-yl)acetamide
CID 20786326
1,2,3,4-Tetrahydro-1,7-naphthyridine
CID 17801446
3-Amino-4-picoline
CID 137935
N,4-Dimethylpyridin-3-amine
CID 14930927
3-((3-Pyridylmethyl)amino)propanol
CID 81390

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol?
The IUPAC name of 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol (CID 170403575) is 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol is CCC(O)Nc1c(C)ccnc1C.
What is the InChIKey of 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol?
The InChIKey is DCFQOZJZCZMKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(13)12-10-7(2)5-6-11-8(10)3/h5-6,9,12-13H,4H2,1-3H3.
What are the key properties of 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol?
1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-3-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 170403575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).