4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine

C14H28N2 — CID 89317994

IUPAC4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine
SMILESC=CCC(NC(C)C)C(CC=C)NC(C)C
InChIInChI=1S/C14H28N2/c1-7-9-13(15-11(3)4)14(10-8-2)16-12(5)6/h7-8,11-16H,1-2,9-10H2,3-6H3
InChIKeyPEBKFKHABWCIGR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.87
Rot. Bonds9

About 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine

4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine (PubChem CID 89317994) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine
PubChem CID89317994
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine
SMILESC=CCC(NC(C)C)C(CC=C)NC(C)C
InChIInChI=1S/C14H28N2/c1-7-9-13(15-11(3)4)14(10-8-2)16-12(5)6/h7-8,11-16H,1-2,9-10H2,3-6H3
InChIKeyPEBKFKHABWCIGR-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine?
The IUPAC name of 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine (CID 89317994) is 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine.
What is the SMILES notation for 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine?
The canonical SMILES for 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine is C=CCC(NC(C)C)C(CC=C)NC(C)C.
What is the InChIKey of 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine?
The InChIKey is PEBKFKHABWCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-9-13(15-11(3)4)14(10-8-2)16-12(5)6/h7-8,11-16H,1-2,9-10H2,3-6H3.
What are the key properties of 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine?
4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-di(propan-2-yl)octa-1,7-diene-4,5-diamine is sourced from PubChem (CID 89317994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).