N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine

C15H24N2O — CID 55077915

IUPACN-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-2-15(12-17-14-5-6-14)18-11-3-4-13-7-9-16-10-8-13/h7-10,14-15,17H,2-6,11-12H2,1H3
InChIKeyBGIZXDRZOTZBEZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds9

About N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine

N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine (PubChem CID 55077915) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
PubChem CID55077915
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCCc1ccncc1
InChIInChI=1S/C15H24N2O/c1-2-15(12-17-14-5-6-14)18-11-3-4-13-7-9-16-10-8-13/h7-10,14-15,17H,2-6,11-12H2,1H3
InChIKeyBGIZXDRZOTZBEZ-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3-pyridin-4-ylpropoxy)butan-1-amine
CID 62450954
N-ethyl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044289
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)pentan-1-amine
CID 83044112
1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62427612
3-methoxy-N-propan-2-yl-2-(3-pyridin-4-ylpropoxy)propan-1-amine
CID 103227977
N-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140
N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine
CID 62583680
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine (CID 55077915) is N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine is CCC(CNC1CC1)OCCCc1ccncc1.
What is the InChIKey of N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine?
The InChIKey is BGIZXDRZOTZBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-15(12-17-14-5-6-14)18-11-3-4-13-7-9-16-10-8-13/h7-10,14-15,17H,2-6,11-12H2,1H3.
What are the key properties of N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine?
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 55077915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).