1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine

C15H34N2 — CID 79409701

IUPAC1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC(C)(C)C)C(C)N(C)CC(C)(C)C
InChIInChI=1S/C15H34N2/c1-12(10-16-15(6,7)8)13(2)17(9)11-14(3,4)5/h12-13,16H,10-11H2,1-9H3
InChIKeyUFIVOINDFQUFIY-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds5

About 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine

1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79409701) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79409701
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC(C)(C)C)C(C)N(C)CC(C)(C)C
InChIInChI=1S/C15H34N2/c1-12(10-16-15(6,7)8)13(2)17(9)11-14(3,4)5/h12-13,16H,10-11H2,1-9H3
InChIKeyUFIVOINDFQUFIY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine (CID 79409701) is 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine is CC(CNC(C)(C)C)C(C)N(C)CC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is UFIVOINDFQUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-12(10-16-15(6,7)8)13(2)17(9)11-14(3,4)5/h12-13,16H,10-11H2,1-9H3.
What are the key properties of 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine?
1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79409701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).