N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

C13H29N3O — CID 63276040

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3O/c1-15(8-4-6-14-7-10-17-3)11-13-5-9-16(2)12-13/h13-14H,4-12H2,1-3H3
InChIKeyKDHBYRPWGAHWPO-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds9

About N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 63276040) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID63276040
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3O/c1-15(8-4-6-14-7-10-17-3)11-13-5-9-16(2)12-13/h13-14H,4-12H2,1-3H3
InChIKeyKDHBYRPWGAHWPO-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234363
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N-(3-methoxypropyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234739
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63274153
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N-(2-methoxyethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 177216704
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 63276040) is N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is COCCNCCCN(C)CC1CCN(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is KDHBYRPWGAHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-15(8-4-6-14-7-10-17-3)11-13-5-9-16(2)12-13/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63276040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).