N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

C13H29N3O — CID 63234363

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-15-8-4-13(5-9-15)12-16(2)10-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3
InChIKeyDSXRJBVIYLZJMH-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.50
Rot. Bonds8

About N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 63234363) 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-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID63234363
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-15-8-4-13(5-9-15)12-16(2)10-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3
InChIKeyDSXRJBVIYLZJMH-UHFFFAOYSA-N
XLogP0.50
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(3-methoxypropyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234739
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 55175004
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 63234363) is N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is COCCNCCN(C)CC1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is DSXRJBVIYLZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-15-8-4-13(5-9-15)12-16(2)10-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.50, 8 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-methylpiperidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63234363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).