N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine

C15H24N2O3 — CID 103405852

IUPACN-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCOCCCOc1ccncc1CNC1CC1
InChIInChI=1S/C15H24N2O3/c1-18-9-10-19-7-2-8-20-15-5-6-16-11-13(15)12-17-14-3-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3
InChIKeyTWKCCLZSMUTJPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.77
Rot. Bonds11

About N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 103405852) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID103405852
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCOCCOCCCOc1ccncc1CNC1CC1
InChIInChI=1S/C15H24N2O3/c1-18-9-10-19-7-2-8-20-15-5-6-16-11-13(15)12-17-14-3-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3
InChIKeyTWKCCLZSMUTJPZ-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-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405855
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250859
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[[2-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751
N-[[3-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]methyl]ethanamine
CID 103405777
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250250
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 103405852) is N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine is COCCOCCCOc1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is TWKCCLZSMUTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-18-9-10-19-7-2-8-20-15-5-6-16-11-13(15)12-17-14-3-4-14/h5-6,11,14,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-[3-(2-methoxyethoxy)propoxy]-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-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103405852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).