N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

C15H26N2O2 — CID 79794906

IUPACN-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCOc1ccc(CNCC(C)C)nc1
InChIInChI=1S/C15H26N2O2/c1-4-18-8-5-9-19-15-7-6-14(17-12-15)11-16-10-13(2)3/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyJCBNOTZTWDIAQE-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.63
Rot. Bonds10

About N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 79794906) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID79794906
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCOCCCOc1ccc(CNCC(C)C)nc1
InChIInChI=1S/C15H26N2O2/c1-4-18-8-5-9-19-15-7-6-14(17-12-15)11-16-10-13(2)3/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyJCBNOTZTWDIAQE-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]butan-2-ol
CID 113398862
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
2-methyl-N-[[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79793929
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794727
N-cyclopropyl-3-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79788776
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
2-bromo-5-(3-ethoxypropoxy)pyridine
CID 103816245
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
2-methyl-N-[[5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79793744
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 79794906) is N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CCOCCCOc1ccc(CNCC(C)C)nc1.
What is the InChIKey of N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JCBNOTZTWDIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-18-8-5-9-19-15-7-6-14(17-12-15)11-16-10-13(2)3/h6-7,12-13,16H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79794906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).