N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

C15H26N2O2 — CID 105075013

IUPACN-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOc1cnccc1CNCCC
InChIInChI=1S/C15H26N2O2/c1-3-5-9-18-10-11-19-15-13-17-8-6-14(15)12-16-7-4-2/h6,8,13,16H,3-5,7,9-12H2,1-2H3
InChIKeyWYYSRSZSCZWQHD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds11

About N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075013) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075013
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCCOCCOc1cnccc1CNCCC
InChIInChI=1S/C15H26N2O2/c1-3-5-9-18-10-11-19-15-13-17-8-6-14(15)12-16-7-4-2/h6,8,13,16H,3-5,7,9-12H2,1-2H3
InChIKeyWYYSRSZSCZWQHD-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.78
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

N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[6-(2-butoxyethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66451575

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075013) is N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is CCCCOCCOc1cnccc1CNCCC.
What is the InChIKey of N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is WYYSRSZSCZWQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-9-18-10-11-19-15-13-17-8-6-14(15)12-16-7-4-2/h6,8,13,16H,3-5,7,9-12H2,1-2H3.
What are the key properties of N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).