1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine

C15H34N2O — CID 79489083

IUPAC1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(C)CNCCOC
InChIInChI=1S/C15H34N2O/c1-7-15(8-2)17(12-13(3)4)14(5)11-16-9-10-18-6/h13-16H,7-12H2,1-6H3
InChIKeyDTIMJWLJWDEKDJ-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.76
Rot. Bonds11

About 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 79489083) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
PubChem CID79489083
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(C)CNCCOC
InChIInChI=1S/C15H34N2O/c1-7-15(8-2)17(12-13(3)4)14(5)11-16-9-10-18-6/h13-16H,7-12H2,1-6H3
InChIKeyDTIMJWLJWDEKDJ-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.76
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-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
CID 79490524
2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine (CID 79489083) is 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CC(C)C)C(C)CNCCOC.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is DTIMJWLJWDEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-7-15(8-2)17(12-13(3)4)14(5)11-16-9-10-18-6/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 79489083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).