3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine

C13H30N2O — CID 107505554

IUPAC3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(CC(COC)NC)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)10-13(14-4)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyFRJGUYSTSAGTRU-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine

3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 107505554) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID107505554
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(CC(COC)NC)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)10-13(14-4)11-16-5/h12-14H,6-11H2,1-5H3
InChIKeyFRJGUYSTSAGTRU-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 107505986
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64826166
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64900116
3-methoxy-2-methyl-N-propan-2-yl-N-propylpropan-1-amine
CID 144977242
2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine (CID 107505554) is 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine is CCCCCN(CC(COC)NC)C(C)C.
What is the InChIKey of 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FRJGUYSTSAGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-7-8-9-15(12(2)3)10-13(14-4)11-16-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine?
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 107505554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).