N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

C17H29N3O — CID 106906637

IUPACN-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CC2CCOCC2)n1
InChIInChI=1S/C17H29N3O/c1-3-9-18-12-16-5-4-6-17(19-16)14-20(2)13-15-7-10-21-11-8-15/h4-6,15,18H,3,7-14H2,1-2H3
InChIKeyYVWCCRQFDYYAQN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.44
Rot. Bonds8

About N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106906637) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106906637
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(C)CC2CCOCC2)n1
InChIInChI=1S/C17H29N3O/c1-3-9-18-12-16-5-4-6-17(19-16)14-20(2)13-15-7-10-21-11-8-15/h4-6,15,18H,3,7-14H2,1-2H3
InChIKeyYVWCCRQFDYYAQN-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.44
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-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906639
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
1-cyclohexyl-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106905342
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63707162
N-[[1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 63705832
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 112751274
N-[[6-[[cyclobutylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906442
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106906637) is N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CN(C)CC2CCOCC2)n1.
What is the InChIKey of N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is YVWCCRQFDYYAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-18-12-16-5-4-6-17(19-16)14-20(2)13-15-7-10-21-11-8-15/h4-6,15,18H,3,7-14H2,1-2H3.
What are the key properties of N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[methyl(oxan-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106906637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).