4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine

C16H32N2 — CID 89317806

IUPAC4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine
SMILESC=CCC(NC(C)(C)C)C(CC=C)NC(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-11-13(17-15(3,4)5)14(12-10-2)18-16(6,7)8/h9-10,13-14,17-18H,1-2,11-12H2,3-8H3
InChIKeyYLKFSHWQXZBLOQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.65
Rot. Bonds7

About 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine

4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine (PubChem CID 89317806) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine
PubChem CID89317806
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine
SMILESC=CCC(NC(C)(C)C)C(CC=C)NC(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-11-13(17-15(3,4)5)14(12-10-2)18-16(6,7)8/h9-10,13-14,17-18H,1-2,11-12H2,3-8H3
InChIKeyYLKFSHWQXZBLOQ-UHFFFAOYSA-N
XLogP3.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.65
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-ditert-butylocta-1,7-diene-4,5-diamine?
The IUPAC name of 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine (CID 89317806) is 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine.
What is the SMILES notation for 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine?
The canonical SMILES for 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine is C=CCC(NC(C)(C)C)C(CC=C)NC(C)(C)C.
What is the InChIKey of 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine?
The InChIKey is YLKFSHWQXZBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-9-11-13(17-15(3,4)5)14(12-10-2)18-16(6,7)8/h9-10,13-14,17-18H,1-2,11-12H2,3-8H3.
What are the key properties of 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine?
4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-ditert-butylocta-1,7-diene-4,5-diamine is sourced from PubChem (CID 89317806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).