1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol

C12H20N2O — CID 102881090

IUPAC1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1cncc(C)c1
InChIInChI=1S/C12H20N2O/c1-3-12(15)4-5-13-8-11-6-10(2)7-14-9-11/h6-7,9,12-13,15H,3-5,8H2,1-2H3
InChIKeySKDXNXWNYQRVHU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds6

About 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol

1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol (PubChem CID 102881090) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
PubChem CID102881090
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1cncc(C)c1
InChIInChI=1S/C12H20N2O/c1-3-12(15)4-5-13-8-11-6-10(2)7-14-9-11/h6-7,9,12-13,15H,3-5,8H2,1-2H3
InChIKeySKDXNXWNYQRVHU-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
4,4,4-trifluoro-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102880995
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106117164
3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 103905637
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol (CID 102881090) is 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol is CCC(O)CCNCc1cncc(C)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol?
The InChIKey is SKDXNXWNYQRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-12(15)4-5-13-8-11-6-10(2)7-14-9-11/h6-7,9,12-13,15H,3-5,8H2,1-2H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol?
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol has a molecular weight of 208.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol is sourced from PubChem (CID 102881090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).