3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine

C14H28N2 — CID 89317805

IUPAC3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine
SMILESC=CC(NC(C)(C)C)C(C=C)NC(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-11(15-13(3,4)5)12(10-2)16-14(6,7)8/h9-12,15-16H,1-2H2,3-8H3
InChIKeyRNYQMVQVBZINLG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.87
Rot. Bonds5

About 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine

3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine (PubChem CID 89317805) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine.

Molecular Properties

Compound Name3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine
PubChem CID89317805
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine
SMILESC=CC(NC(C)(C)C)C(C=C)NC(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-11(15-13(3,4)5)12(10-2)16-14(6,7)8/h9-12,15-16H,1-2H2,3-8H3
InChIKeyRNYQMVQVBZINLG-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine?
The IUPAC name of 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine (CID 89317805) is 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine.
What is the SMILES notation for 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine?
The canonical SMILES for 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine is C=CC(NC(C)(C)C)C(C=C)NC(C)(C)C.
What is the InChIKey of 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine?
The InChIKey is RNYQMVQVBZINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-9-11(15-13(3,4)5)12(10-2)16-14(6,7)8/h9-12,15-16H,1-2H2,3-8H3.
What are the key properties of 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine?
3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-ditert-butylhexa-1,5-diene-3,4-diamine is sourced from PubChem (CID 89317805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).