N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine

C16H25N3O — CID 114412766

IUPACN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2cccc(CNC(C)C)n2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)17-11-15-5-4-6-16(18-15)19-9-7-14(8-10-19)12-20-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyDEPAEHNZIBIVGU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.36
Rot. Bonds6

About N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 114412766) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID114412766
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2cccc(CNC(C)C)n2)CC1
InChIInChI=1S/C16H25N3O/c1-13(2)17-11-15-5-4-6-16(18-15)19-9-7-14(8-10-19)12-20-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyDEPAEHNZIBIVGU-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-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-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114412857
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
CID 114412860
N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
CID 107380951
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089
N-[[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 114412801
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 114412848
N-[[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63169196
N-[[6-(2-ethylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62278840
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63025668

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine (CID 114412766) is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine is COCC1=CCN(c2cccc(CNC(C)C)n2)CC1.
What is the InChIKey of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is DEPAEHNZIBIVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)17-11-15-5-4-6-16(18-15)19-9-7-14(8-10-19)12-20-3/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114412766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).