N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine

C15H30N2O2 — CID 103180319

IUPACN-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H30N2O2/c1-18-9-3-10-19-11-8-17-7-2-4-14(13-17)12-16-15-5-6-15/h14-16H,2-13H2,1H3
InChIKeyXURWQIBNHQDMCX-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds10

About N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 103180319) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID103180319
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCOCCCOCCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H30N2O2/c1-18-9-3-10-19-11-8-17-7-2-4-14(13-17)12-16-15-5-6-15/h14-16H,2-13H2,1H3
InChIKeyXURWQIBNHQDMCX-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
N-[[1-(methoxymethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 65365085
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]cyclopropanamine
CID 103410146
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 107912652
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine (CID 103180319) is N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine is COCCCOCCN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is XURWQIBNHQDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-18-9-3-10-19-11-8-17-7-2-4-14(13-17)12-16-15-5-6-15/h14-16H,2-13H2,1H3.
What are the key properties of N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103180319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).