3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine

C9H21N3O — CID 123149475

IUPAC3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine
SMILESCOCCNC1CCN(N(C)C)C1
InChIInChI=1S/C9H21N3O/c1-11(2)12-6-4-9(8-12)10-5-7-13-3/h9-10H,4-8H2,1-3H3
InChIKeyRLLFMMARRQLCGU-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.23
Rot. Bonds5

About 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine

3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine (PubChem CID 123149475) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine
PubChem CID123149475
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine
SMILESCOCCNC1CCN(N(C)C)C1
InChIInChI=1S/C9H21N3O/c1-11(2)12-6-4-9(8-12)10-5-7-13-3/h9-10H,4-8H2,1-3H3
InChIKeyRLLFMMARRQLCGU-UHFFFAOYSA-N
XLogP-0.23
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.23
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

2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
CID 170895884
1-(cyclopropylmethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 115705566
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542
1-(2-aminoethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 117027502
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 112698344
N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine (CID 123149475) is 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine is COCCNC1CCN(N(C)C)C1.
What is the InChIKey of 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine?
The InChIKey is RLLFMMARRQLCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-11(2)12-6-4-9(8-12)10-5-7-13-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine?
3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine has a molecular weight of 187.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine is sourced from PubChem (CID 123149475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).