N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H28N2O2 — CID 62292365

IUPACN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1cc(CNCC(C)C)ccn1
InChIInChI=1S/C16H28N2O2/c1-4-5-8-19-9-10-20-16-11-15(6-7-18-16)13-17-12-14(2)3/h6-7,11,14,17H,4-5,8-10,12-13H2,1-3H3
InChIKeyMDLRDLSLPWTSHV-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.02
Rot. Bonds11

About N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62292365) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62292365
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCCOCCOc1cc(CNCC(C)C)ccn1
InChIInChI=1S/C16H28N2O2/c1-4-5-8-19-9-10-20-16-11-15(6-7-18-16)13-17-12-14(2)3/h6-7,11,14,17H,4-5,8-10,12-13H2,1-3H3
InChIKeyMDLRDLSLPWTSHV-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62292173
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[[2-(2-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323227
2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
N-[[4-(2-butoxyethoxy)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81253479
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62292365) is N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CCCCOCCOc1cc(CNCC(C)C)ccn1.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MDLRDLSLPWTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-8-19-9-10-20-16-11-15(6-7-18-16)13-17-12-14(2)3/h6-7,11,14,17H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62292365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).