N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine

C14H24N2O2 — CID 103347430

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCOc1cccc(CNCCCOCC(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-18-9-5-8-15-10-13-6-4-7-14(16-13)17-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyDRAQGZDVFLXCTC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.24
Rot. Bonds9

About N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine

N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 103347430) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID103347430
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCOc1cccc(CNCCCOCC(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-18-9-5-8-15-10-13-6-4-7-14(16-13)17-3/h4,6-7,12,15H,5,8-11H2,1-3H3
InChIKeyDRAQGZDVFLXCTC-UHFFFAOYSA-N
XLogP2.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-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

3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
3-(2-methylpropoxy)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62760233
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
CID 103347709
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 115652347
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
1-(3-butoxypropyl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111240247
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine (CID 103347430) is N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine is COc1cccc(CNCCCOCC(C)C)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is DRAQGZDVFLXCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)11-18-9-5-8-15-10-13-6-4-7-14(16-13)17-3/h4,6-7,12,15H,5,8-11H2,1-3H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 103347430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).