1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

C13H29N3O — CID 63208838

IUPAC1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCOCCNCC(C)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-13(12-14-6-11-17-3)15(2)9-10-16-7-4-5-8-16/h13-14H,4-12H2,1-3H3
InChIKeyXIKDVXLPDYEAOQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds9

About 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (PubChem CID 63208838) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
PubChem CID63208838
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCOCCNCC(C)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-13(12-14-6-11-17-3)15(2)9-10-16-7-4-5-8-16/h13-14H,4-12H2,1-3H3
InChIKeyXIKDVXLPDYEAOQ-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

2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708266
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63209169
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 107911579
2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708264
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788
2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 63207560
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (CID 63208838) is 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is COCCNCC(C)N(C)CCN1CCCC1.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The InChIKey is XIKDVXLPDYEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(12-14-6-11-17-3)15(2)9-10-16-7-4-5-8-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-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 1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 63208838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).