N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine

C12H28N2O — CID 43147093

IUPACN-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOC(C)(C)CC(C)NCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(10-12(2,3)15-6)13-8-7-9-14(4)5/h11,13H,7-10H2,1-6H3
InChIKeyYIUFSNNZNUBEIL-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds8

About N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43147093) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43147093
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOC(C)(C)CC(C)NCCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(10-12(2,3)15-6)13-8-7-9-14(4)5/h11,13H,7-10H2,1-6H3
InChIKeyYIUFSNNZNUBEIL-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 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 ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 43147093) is N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine is COC(C)(C)CC(C)NCCCN(C)C.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YIUFSNNZNUBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(10-12(2,3)15-6)13-8-7-9-14(4)5/h11,13H,7-10H2,1-6H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43147093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).