N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine

C14H26N2O2 — CID 103227335

IUPACN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
SMILESCOCC1=CCN(C(CNC2CC2)COC)CC1
InChIInChI=1S/C14H26N2O2/c1-17-10-12-5-7-16(8-6-12)14(11-18-2)9-15-13-3-4-13/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyFPFROVMYSNWVGD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.03
Rot. Bonds8

About N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine

N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine (PubChem CID 103227335) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
PubChem CID103227335
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
SMILESCOCC1=CCN(C(CNC2CC2)COC)CC1
InChIInChI=1S/C14H26N2O2/c1-17-10-12-5-7-16(8-6-12)14(11-18-2)9-15-13-3-4-13/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyFPFROVMYSNWVGD-UHFFFAOYSA-N
XLogP1.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine (CID 103227335) is N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine is COCC1=CCN(C(CNC2CC2)COC)CC1.
What is the InChIKey of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine?
The InChIKey is FPFROVMYSNWVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-17-10-12-5-7-16(8-6-12)14(11-18-2)9-15-13-3-4-13/h5,13-15H,3-4,6-11H2,1-2H3.
What are the key properties of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine?
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine has a molecular weight of 254.37 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine is sourced from PubChem (CID 103227335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).