N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine

C15H24N2O — CID 114199171

IUPACN-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESC/C=C/COCc1ncccc1CNCC(C)C
InChIInChI=1S/C15H24N2O/c1-4-5-9-18-12-15-14(7-6-8-17-15)11-16-10-13(2)3/h4-8,13,16H,9-12H2,1-3H3/b5-4+
InChIKeyDHDDVNNTYWBITK-SNAWJCMRSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds8

About N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199171) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114199171
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESC/C=C/COCc1ncccc1CNCC(C)C
InChIInChI=1S/C15H24N2O/c1-4-5-9-18-12-15-14(7-6-8-17-15)11-16-10-13(2)3/h4-8,13,16H,9-12H2,1-3H3/b5-4+
InChIKeyDHDDVNNTYWBITK-SNAWJCMRSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[[(E)-but-2-enoxy]methyl]-3-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-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
N-methyl-N-[[3-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 114198984
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
N-[(6-but-2-enoxypyridazin-3-yl)methyl]-2-methylpropan-1-amine
CID 76938479
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115981790
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114199171) is N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine is C/C=C/COCc1ncccc1CNCC(C)C.
What is the InChIKey of N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DHDDVNNTYWBITK-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-9-18-12-15-14(7-6-8-17-15)11-16-10-13(2)3/h4-8,13,16H,9-12H2,1-3H3/b5-4+.
What are the key properties of N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(E)-but-2-enoxy]methyl]-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).