N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine

C13H22N2O2 — CID 62288607

IUPACN-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCOCCCOc1ncccc1CNC(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)15-10-12-6-4-7-14-13(12)17-9-5-8-16-3/h4,6-7,11,15H,5,8-10H2,1-3H3
InChIKeyXJYAPANKCQQTMM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds8

About N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62288607) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62288607
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCOCCCOc1ncccc1CNC(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)15-10-12-6-4-7-14-13(12)17-9-5-8-16-3/h4,6-7,11,15H,5,8-10H2,1-3H3
InChIKeyXJYAPANKCQQTMM-UHFFFAOYSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.99
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-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288771
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-(3-methoxypropyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63007756
N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740542
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62288607) is N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine is COCCCOc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is XJYAPANKCQQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)15-10-12-6-4-7-14-13(12)17-9-5-8-16-3/h4,6-7,11,15H,5,8-10H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62288607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).