N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine

C15H23N3O2 — CID 83100593

IUPACN-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESCOc1ncccc1CN1CCOCC1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-19-15-12(3-2-6-16-15)10-18-7-8-20-11-14(18)9-17-13-4-5-13/h2-3,6,13-14,17H,4-5,7-11H2,1H3
InChIKeyFJBPWMXPKKHXDI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds6

About N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine

N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83100593) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83100593
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
SMILESCOc1ncccc1CN1CCOCC1CNC1CC1
InChIInChI=1S/C15H23N3O2/c1-19-15-12(3-2-6-16-15)10-18-7-8-20-11-14(18)9-17-13-4-5-13/h2-3,6,13-14,17H,4-5,7-11H2,1H3
InChIKeyFJBPWMXPKKHXDI-UHFFFAOYSA-N
XLogP1.04
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine (CID 83100593) is N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine is COc1ncccc1CN1CCOCC1CNC1CC1.
What is the InChIKey of N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is FJBPWMXPKKHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-15-12(3-2-6-16-15)10-18-7-8-20-11-14(18)9-17-13-4-5-13/h2-3,6,13-14,17H,4-5,7-11H2,1H3.
What are the key properties of N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83100593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).