3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine

C14H31N3O — CID 103226561

IUPAC3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-9-14(12-18-4)17(3)11-13-6-8-16(2)10-13/h13-15H,5-12H2,1-4H3
InChIKeySTWNNJRQMFKUKM-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds9

About 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine

3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine (PubChem CID 103226561) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
PubChem CID103226561
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H31N3O/c1-5-7-15-9-14(12-18-4)17(3)11-13-6-8-16(2)10-13/h13-15H,5-12H2,1-4H3
InChIKeySTWNNJRQMFKUKM-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
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-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 63274758
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine (CID 103226561) is 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)CC1CCN(C)C1.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine?
The InChIKey is STWNNJRQMFKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-7-15-9-14(12-18-4)17(3)11-13-6-8-16(2)10-13/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103226561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).