N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C13H29N3O — CID 58858738

IUPACN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCOCCN1CCCC1CNCCN(C)C
InChIInChI=1S/C13H29N3O/c1-4-17-11-10-16-8-5-6-13(16)12-14-7-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyHJIPQWJNENABCG-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds9

About N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 58858738) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID58858738
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCOCCN1CCCC1CNCCN(C)C
InChIInChI=1S/C13H29N3O/c1-4-17-11-10-16-8-5-6-13(16)12-14-7-9-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyHJIPQWJNENABCG-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
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-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581621
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62887865
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
N-[[1-(2-propoxyethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 106453472
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 58858738) is N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is CCOCCN1CCCC1CNCCN(C)C.
What is the InChIKey of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HJIPQWJNENABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-17-11-10-16-8-5-6-13(16)12-14-7-9-15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58858738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).