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

C15H26N2O2 — CID 62292173

IUPACN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCCCCOCCOc1cc(CNC(C)C)ccn1
InChIInChI=1S/C15H26N2O2/c1-4-5-8-18-9-10-19-15-11-14(6-7-16-15)12-17-13(2)3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3
InChIKeyMNDFRSURFWNDLO-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.78
Rot. Bonds10

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

N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62292173) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62292173
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCCCCOCCOc1cc(CNC(C)C)ccn1
InChIInChI=1S/C15H26N2O2/c1-4-5-8-18-9-10-19-15-11-14(6-7-16-15)12-17-13(2)3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3
InChIKeyMNDFRSURFWNDLO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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]propan-2-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-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292365
N-[[6-(2-butoxyethoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 55058292
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
N-[[2-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62387269
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
N-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine (CID 62292173) is N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine is CCCCOCCOc1cc(CNC(C)C)ccn1.
What is the InChIKey of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is MNDFRSURFWNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-8-18-9-10-19-15-11-14(6-7-16-15)12-17-13(2)3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 266.38 g/mol, XLogP of 2.78, 10 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]propan-2-amine is sourced from PubChem (CID 62292173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).