N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine

C11H25N3O — CID 118889595

IUPACN'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
SMILESCN(CCN)CCOCCN1CCCC1
InChIInChI=1S/C11H25N3O/c1-13(7-4-12)8-10-15-11-9-14-5-2-3-6-14/h2-12H2,1H3
InChIKeyOKFZOJMTSVNXNP-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.01
Rot. Bonds8

About N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine

N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine (PubChem CID 118889595) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
PubChem CID118889595
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
SMILESCN(CCN)CCOCCN1CCCC1
InChIInChI=1S/C11H25N3O/c1-13(7-4-12)8-10-15-11-9-14-5-2-3-6-14/h2-12H2,1H3
InChIKeyOKFZOJMTSVNXNP-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.01
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,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
CID 118891602
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
CID 118891624
2-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethoxy]ethanol
CID 118891601
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-methylethane-1,2-diamine
CID 104561076
N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 167593600
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
1-[2-(2-aminoethoxy)ethyl]-N,N-dimethylpiperidin-4-amine
CID 79478502
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine (CID 118889595) is N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine is CN(CCN)CCOCCN1CCCC1.
What is the InChIKey of N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine?
The InChIKey is OKFZOJMTSVNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13(7-4-12)8-10-15-11-9-14-5-2-3-6-14/h2-12H2,1H3.
What are the key properties of N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine has a molecular weight of 215.34 g/mol, XLogP of -0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 118889595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).