2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

C14H24N2O — CID 102880820

IUPAC2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CNCCOCCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-12(2)4-6-17-7-5-15-10-14-8-13(3)9-16-11-14/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyQFSUYYRIZPAMGV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.54
Rot. Bonds8

About 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 102880820) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID102880820
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CNCCOCCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-12(2)4-6-17-7-5-15-10-14-8-13(3)9-16-11-14/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyQFSUYYRIZPAMGV-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
CID 102880849
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 63477065
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (CID 102880820) is 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is Cc1cncc(CNCCOCCC(C)C)c1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is QFSUYYRIZPAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)4-6-17-7-5-15-10-14-8-13(3)9-16-11-14/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102880820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).