N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C11H26N2 — CID 12727165

IUPACN-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C11H26N2/c1-7-12-8-11(5,6)9-13-10(2,3)4/h12-13H,7-9H2,1-6H3
InChIKeyQQQTZJMVSPVTBX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds5

About N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 12727165) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID12727165
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C11H26N2/c1-7-12-8-11(5,6)9-13-10(2,3)4/h12-13H,7-9H2,1-6H3
InChIKeyQQQTZJMVSPVTBX-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 12727165) is N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCNCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is QQQTZJMVSPVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-12-8-11(5,6)9-13-10(2,3)4/h12-13H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 12727165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).