N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C15H30N2O2 — CID 103181621

IUPACN-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOCCCOCCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17(15-3-4-15)13-14-5-7-16-8-6-14/h14-16H,2-13H2,1H3
InChIKeyXLAHTZOVOGGKPQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 103181621) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID103181621
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCOCCCOCCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17(15-3-4-15)13-14-5-7-16-8-6-14/h14-16H,2-13H2,1H3
InChIKeyXLAHTZOVOGGKPQ-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'}

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103411120
5-[cyclopropyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79714169
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705274
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 103181621) is N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is COCCCOCCN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is XLAHTZOVOGGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-18-10-2-11-19-12-9-17(15-3-4-15)13-14-5-7-16-8-6-14/h14-16H,2-13H2,1H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)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-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 103181621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).