N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C13H28N2O2 — CID 82954753

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1(CN)CC1
InChIInChI=1S/C13H28N2O2/c1-3-16-9-7-15(8-10-17-4-2)12-13(11-14)5-6-13/h3-12,14H2,1-2H3
InChIKeyQYRYYQLIXCQLIZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds11

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 82954753) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID82954753
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1(CN)CC1
InChIInChI=1S/C13H28N2O2/c1-3-16-9-7-15(8-10-17-4-2)12-13(11-14)5-6-13/h3-12,14H2,1-2H3
InChIKeyQYRYYQLIXCQLIZ-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
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

[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
2-ethoxy-N-(2-ethoxyethyl)-N-[(3-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82953975
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
1-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclobutan-1-amine
CID 82953617
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 115453707
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 82954753) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is QYRYYQLIXCQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-16-9-7-15(8-10-17-4-2)12-13(11-14)5-6-13/h3-12,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 82954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).