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

C16H36N2O — CID 62568016

IUPAC2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)CNC(C)(C)CC
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(11-12-19-7)14(4)13-17-16(5,6)10-3/h14-15,17H,8-13H2,1-7H3
InChIKeyBBORUDVIJIMDIH-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.29
Rot. Bonds11

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

2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 62568016) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
PubChem CID62568016
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(C)CNC(C)(C)CC
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(11-12-19-7)14(4)13-17-16(5,6)10-3/h14-15,17H,8-13H2,1-7H3
InChIKeyBBORUDVIJIMDIH-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine with MolForge

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Related Compounds

1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63691618
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
1-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 79489083
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine (CID 62568016) is 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CCOC)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is BBORUDVIJIMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(9-2)18(11-12-19-7)14(4)13-17-16(5,6)10-3/h14-15,17H,8-13H2,1-7H3.
What are the key properties of 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine?
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 62568016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).