N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine

C15H24N2O3 — CID 103180751

IUPACN-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O3/c1-18-8-3-9-19-10-11-20-15-13(4-2-7-16-15)12-17-14-5-6-14/h2,4,7,14,17H,3,5-6,8-12H2,1H3
InChIKeyREARCBVPTIFWJA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.77
Rot. Bonds11

About N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 103180751) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID103180751
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCCOCCOc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O3/c1-18-8-3-9-19-10-11-20-15-13(4-2-7-16-15)12-17-14-5-6-14/h2,4,7,14,17H,3,5-6,8-12H2,1H3
InChIKeyREARCBVPTIFWJA-UHFFFAOYSA-N
XLogP1.77
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
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

N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288771
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 103180751) is N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine is COCCCOCCOc1ncccc1CNC1CC1.
What is the InChIKey of N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is REARCBVPTIFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-8-3-9-19-10-11-20-15-13(4-2-7-16-15)12-17-14-5-6-14/h2,4,7,14,17H,3,5-6,8-12H2,1H3.
What are the key properties of N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 280.37 g/mol, XLogP of 1.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103180751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).