1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine

C12H28N2O — CID 82951944

IUPAC1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CCOC)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-12(4,13)10-14(11(2)3)8-9-15-5/h11H,6-10,13H2,1-5H3
InChIKeyQIBHECVZOUVTKW-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds8

About 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine

1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine (PubChem CID 82951944) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
PubChem CID82951944
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(CCOC)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-7-12(4,13)10-14(11(2)3)8-9-15-5/h11H,6-10,13H2,1-5H3
InChIKeyQIBHECVZOUVTKW-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine (CID 82951944) is 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine is CCCC(C)(N)CN(CCOC)C(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is QIBHECVZOUVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-7-12(4,13)10-14(11(2)3)8-9-15-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine?
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 8 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-methyl-1-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 82951944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).