3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine

C14H32N2O — CID 103225627

IUPAC3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(CNCC(C)C)COC
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-16(4)14(12-17-5)11-15-10-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyMEXRIGBWTNSTRT-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine

3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine (PubChem CID 103225627) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
PubChem CID103225627
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(CNCC(C)C)COC
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-16(4)14(12-17-5)11-15-10-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyMEXRIGBWTNSTRT-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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

1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103227433
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054297
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine (CID 103225627) is 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine is CCCCCN(C)C(CNCC(C)C)COC.
What is the InChIKey of 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine?
The InChIKey is MEXRIGBWTNSTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-7-8-9-16(4)14(12-17-5)11-15-10-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine?
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 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-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 103225627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).