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

C15H24N2O3 — CID 114936359

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCOc1ccc(CNCCCOCC2CCCO2)cn1
InChIInChI=1S/C15H24N2O3/c1-18-15-6-5-13(11-17-15)10-16-7-3-8-19-12-14-4-2-9-20-14/h5-6,11,14,16H,2-4,7-10,12H2,1H3
InChIKeyRIQMHMDDHARUBO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.77
Rot. Bonds9

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

N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 114936359) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID114936359
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCOc1ccc(CNCCCOCC2CCCO2)cn1
InChIInChI=1S/C15H24N2O3/c1-18-15-6-5-13(11-17-15)10-16-7-3-8-19-12-14-4-2-9-20-14/h5-6,11,14,16H,2-4,7-10,12H2,1H3
InChIKeyRIQMHMDDHARUBO-UHFFFAOYSA-N
XLogP1.77
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55058917
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407625
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499
2-methyl-N-[[6-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291212
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
CID 54797389

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 114936359) is N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is COc1ccc(CNCCCOCC2CCCO2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is RIQMHMDDHARUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-15-6-5-13(11-17-15)10-16-7-3-8-19-12-14-4-2-9-20-14/h5-6,11,14,16H,2-4,7-10,12H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 114936359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).